data_[Pm4Cu4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4755]
_cell_length_b [7.1647]
_cell_length_c [6.8667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PmCuS2]
_chemical_formula_sum '[Pm4 Cu4 S8]'
_cell_volume [315.9042]
_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
[
  Pm  Pm0  4  0.1913  0.5495  0.2997  1
  Cu  Cu1  4  0.4251  0.1644  0.4522  1
  S  S2  4  0.0824  0.2262  0.4985  1
  S  S3  4  0.4095  0.6141  0.7216  1
]