data_[Pm4Pr8Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  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 [3.9673]
_cell_length_b [17.2584]
_cell_length_c [11.7293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PmPr2CuS5]
_chemical_formula_sum '[Pm4 Pr8 Cu4 S20]'
_cell_volume [803.0983]
_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  0.1073  0.6854  1
  Pr  Pr1  4  0.0000  0.1188  0.3127  1
  Pm  Pm2  4  0.0000  0.1946  0.0104  1
  Cu  Cu3  4  0.0000  0.4432  0.4532  1
  S  S4  4  0.0000  0.0409  0.0567  1
  S  S5  4  0.0000  0.2911  0.6796  1
  S  S6  4  0.0000  0.3187  0.3455  1
  S  S7  4  0.0000  0.3583  0.0025  1
  S  S8  4  0.0000  0.4986  0.7779  1
]