data_[Li6Pr4Y2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9873]
_cell_length_b [12.1377]
_cell_length_c [6.6223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Pr2YS6]
_chemical_formula_sum '[Li6 Pr4 Y2 S12]'
_cell_volume [526.9546]
_cell_formula_units_Z [2]
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  4  0.0000  0.1556  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr2  4  0.0000  0.3325  0.0000  1.0
  Y  Y3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2451  0.1611  0.2556  1.0
  S  S5  4  0.2403  0.0000  0.7461  1.0
]