data_[Li4La8Pr4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1102]
_cell_length_b [16.8972]
_cell_length_c [12.2014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiLa2PrS5]
_chemical_formula_sum '[Li4 La8 Pr4 S20]'
_cell_volume [847.3898]
_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  0.4888  0.4842  1.0
  La  La1  4  0.0000  0.1101  0.6832  1.0
  La  La2  4  0.0000  0.1206  0.2980  1.0
  Pr  Pr3  4  0.0000  0.1960  0.9995  1.0
  S  S4  4  0.0000  0.0418  0.0714  1.0
  S  S5  4  0.0000  0.2918  0.6630  1.0
  S  S6  4  0.0000  0.3071  0.3383  1.0
  S  S7  4  0.0000  0.3642  0.0006  1.0
  S  S8  4  0.0000  0.4981  0.2858  1.0
]