data_[Li2Pr2S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6811]
_cell_length_b [5.6837]
_cell_length_c [7.0036]
_cell_angle_alpha [66.0582]
_cell_angle_beta [66.1111]
_cell_angle_gamma [89.9867]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiPrS2]
_chemical_formula_sum '[Li2 Pr2 S4]'
_cell_volume [185.2993]
_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  1  0.5004  0.5197  0.9951  1.0
  Li  Li1  1  0.7426  0.2379  0.5064  1.0
  Pr  Pr2  1  0.0018  0.0134  0.9963  1.0
  Pr  Pr3  1  0.2529  0.7633  0.4962  1.0
  S  S4  1  0.0053  0.5228  0.9920  1.0
  S  S5  1  0.2555  0.2551  0.4988  1.0
  S  S6  1  0.5010  0.9990  0.9984  1.0
  S  S7  1  0.7544  0.7601  0.4939  1.0
]