data_[Li4Pr8In4S20]
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
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0108]
_cell_length_b [17.1978]
_cell_length_c [11.4670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPr2InS5]
_chemical_formula_sum '[Li4 Pr8 In4 S20]'
_cell_volume [790.9508]
_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  4  0.0000  0.2255  0.0157  1.0
  Pr  Pr1  4  0.0000  0.1240  0.3030  1.0
  Pr  Pr2  4  0.0000  0.1253  0.6809  1.0
  In  In3  4  0.0000  0.4167  0.4752  1.0
  S  S4  4  0.0000  0.0350  0.0771  1.0
  S  S5  4  0.0000  0.3014  0.6537  1.0
  S  S6  4  0.0000  0.3019  0.3389  1.0
  S  S7  4  0.0000  0.3612  0.9959  1.0
  S  S8  4  0.0000  0.4917  0.2834  1.0
]