data_[La8Pr4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0066]
_cell_length_b [16.8588]
_cell_length_c [12.2016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2PrCuS5]
_chemical_formula_sum '[La8 Pr4 Cu4 S20]'
_cell_volume [824.1750]
_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
[
  La  La0  4  0.0000  0.1136  0.6932  1.0
  La  La1  4  0.0000  0.1171  0.3486  1.0
  Pr  Pr2  4  0.0000  0.1771  0.0282  1.0
  Cu  Cu3  4  0.0000  0.4519  0.4213  1.0
  S  S4  4  0.0000  0.0119  0.0084  1.0
  S  S5  4  0.0000  0.2993  0.6933  1.0
  S  S6  4  0.0000  0.3180  0.3604  1.0
  S  S7  4  0.0000  0.3458  0.0203  1.0
  S  S8  4  0.0000  0.4922  0.7504  1.0
]