data_[Pa8Cr4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Cr  1.6600  1.4000  0.9400
  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 [3.7561]
_cell_length_b [15.9804]
_cell_length_c [11.0543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pa2CrCuS5]
_chemical_formula_sum '[Pa8 Cr4 Cu4 S20]'
_cell_volume [663.5293]
_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
[
  Pa  Pa0  4  0.0000  0.1134  0.6925  1
  Pa  Pa1  4  0.0000  0.1280  0.3060  1
  Cr  Cr2  4  0.0000  0.1995  0.0108  1
  Cu  Cu3  4  0.0000  0.4341  0.4539  1
  S  S4  4  0.0000  0.0477  0.0634  1
  S  S5  4  0.0000  0.2896  0.6621  1
  S  S6  4  0.0000  0.3036  0.3529  1
  S  S7  4  0.0000  0.3548  0.0049  1
  S  S8  4  0.0000  0.4978  0.7774  1
]