data_[Pr8Cu4Sb4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0282]
_cell_length_b [17.5344]
_cell_length_c [11.8609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2CuSbS5]
_chemical_formula_sum '[Pr8 Cu4 Sb4 S20]'
_cell_volume [837.7513]
_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
[
  Pr  Pr0  4  0.0000  0.1169  0.6699  1
  Pr  Pr1  4  0.0000  0.1254  0.2965  1
  Cu  Cu2  4  0.0000  0.2508  0.1025  1
  Sb  Sb3  4  0.0000  0.4073  0.4675  1
  S  S4  4  0.0000  0.0344  0.0765  1
  S  S5  4  0.0000  0.3008  0.2985  1
  S  S6  4  0.0000  0.3068  0.6416  1
  S  S7  4  0.0000  0.3549  0.9871  1
  S  S8  4  0.0000  0.4956  0.2838  1
]