# generated using pymatgen
data_Li3YCl6
_symmetry_space_group_name_H-M   Pna2_1
_cell_length_a   12.33888352
_cell_length_b   11.19297998
_cell_length_c   6.51867985
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   33
_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'
  2  '-x, -y, z+1/2'
  3  '-x+1/2, y+1/2, z+1/2'
  4  'x+1/2, -y+1/2, 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  4  0.10568942  0.94805022  0.49738204  1
  Li  Li1  4  0.12839351  0.36344235  0.01130920  1
  Li  Li2  4  0.14296159  0.55252839  0.50274539  1
  Y  Y3  4  0.12784760  0.74207719  0.99898806  1
  Cl  Cl4  4  0.00260028  0.58138561  0.81033687  1
  Cl  Cl5  4  0.01569051  0.74927532  0.34398617  1
  Cl  Cl6  4  0.01809830  0.91760301  0.83074271  1
  Cl  Cl7  4  0.23293083  0.55379034  0.15687029  1
  Cl  Cl8  4  0.24475925  0.39772950  0.69175832  1
  Cl  Cl9  4  0.24668894  0.72410594  0.66305095  1