# generated using pymatgen
data_Li3YCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.33888352
_cell_length_b   11.19297998
_cell_length_c   6.51867985
_cell_angle_alpha   89.99999752
_cell_angle_beta   90.00000050
_cell_angle_gamma   89.99999933
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3YCl6
_chemical_formula_sum   'Li12 Y4 Cl24'
_cell_volume   900.28754856
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.87160649  0.13655765  0.51130920  1
  Li  Li1  1  0.12839351  0.86344235  0.01130920  1
  Li  Li2  1  0.62839352  0.63655765  0.01130920  1
  Li  Li3  1  0.37160649  0.36344235  0.51130920  1
  Li  Li4  1  0.60568942  0.05194978  0.49738204  1
  Li  Li5  1  0.39431058  0.94805022  0.99738204  1
  Li  Li6  1  0.89431058  0.55194978  0.99738204  1
  Li  Li7  1  0.10568942  0.44805022  0.49738204  1
  Li  Li8  1  0.85703841  0.94747161  0.00274539  1
  Li  Li9  1  0.14296158  0.05252838  0.50274539  1
  Li  Li10  1  0.64296159  0.44747161  0.50274540  1
  Li  Li11  1  0.35703841  0.55252839  0.00274540  1
  Y  Y12  1  0.62784761  0.25792281  -0.00101194  1
  Y  Y13  1  0.37215240  0.74207719  0.49898807  1
  Y  Y14  1  0.87215241  0.75792283  0.49898807  1
  Y  Y15  1  0.12784760  0.24207718  -0.00101194  1
  Cl  Cl16  1  0.73293083  0.44620966  0.15687029  1
  Cl  Cl17  1  0.26706916  0.55379033  0.65687029  1
  Cl  Cl18  1  0.76706916  0.94620967  0.65687029  1
  Cl  Cl19  1  0.23293084  0.05379033  0.15687029  1
  Cl  Cl20  1  0.51569051  0.25072468  0.34398617  1
  Cl  Cl21  1  0.48430949  0.74927533  0.84398616  1
  Cl  Cl22  1  0.98430949  0.75072467  0.84398616  1
  Cl  Cl23  1  0.01569051  0.24927532  0.34398616  1
  Cl  Cl24  1  0.74668894  0.27589406  0.66305095  1
  Cl  Cl25  1  0.25331106  0.72410594  0.16305095  1
  Cl  Cl26  1  0.75331105  0.77589406  0.16305095  1
  Cl  Cl27  1  0.24668895  0.22410594  0.66305095  1
  Cl  Cl28  1  0.51809830  0.08239699  0.83074271  1
  Cl  Cl29  1  0.48190170  0.91760301  0.33074270  1
  Cl  Cl30  1  0.98190170  0.58239699  0.33074271  1
  Cl  Cl31  1  0.01809830  0.41760302  0.83074270  1
  Cl  Cl32  1  0.75524075  0.10227050  0.19175832  1
  Cl  Cl33  1  0.24475926  0.89772950  0.69175832  1
  Cl  Cl34  1  0.74475925  0.60227049  0.69175832  1
  Cl  Cl35  1  0.25524075  0.39772950  0.19175832  1
  Cl  Cl36  1  0.50260028  0.41861439  0.81033687  1
  Cl  Cl37  1  0.49739972  0.58138562  0.31033687  1
  Cl  Cl38  1  0.99739972  0.91861439  0.31033688  1
  Cl  Cl39  1  0.00260028  0.08138562  0.81033687  1