data_[La4Pr8Cu4S20]
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 [3.9827]
_cell_length_b [18.0124]
_cell_length_c [11.5485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LaPr2CuS5]
_chemical_formula_sum '[La4 Pr8 Cu4 S20]'
_cell_volume [828.4671]
_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  0.1974  0.0094  1.0
  Pr  Pr1  4  0.0000  0.0992  0.6837  1.0
  Pr  Pr2  4  0.0000  0.1128  0.3113  1.0
  Cu  Cu3  4  0.0000  0.4410  0.4526  1.0
  S  S4  4  0.0000  0.0447  0.0576  1.0
  S  S5  4  0.0000  0.2959  0.6884  1.0
  S  S6  4  0.0000  0.3276  0.3394  1.0
  S  S7  4  0.0000  0.3602  0.0031  1.0
  S  S8  4  0.0000  0.4978  0.7785  1.0
]