data_[Pr8U4Ni4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  U  1.3800  1.7500  0.9913
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8596]
_cell_length_b [16.4765]
_cell_length_c [12.0717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2UNiS5]
_chemical_formula_sum '[Pr8 U4 Ni4 S20]'
_cell_volume [767.6643]
_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  0.1142  0.3475  1
  Pr  Pr1  4  0.0000  0.1159  0.6963  1
  U  U2  4  0.0000  0.1776  0.0262  1
  Ni  Ni3  4  0.0000  0.4449  0.4191  1
  S  S4  4  0.0000  0.0204  0.0083  1
  S  S5  4  0.0000  0.3025  0.6861  1
  S  S6  4  0.0000  0.3137  0.3670  1
  S  S7  4  0.0000  0.3426  0.0215  1
  S  S8  4  0.0000  0.4950  0.7522  1
]