data_[Cs1Pa2Cu2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pa  1.5000  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2845]
_cell_length_b [7.4814]
_cell_length_c [7.5737]
_cell_angle_alpha [91.1660]
_cell_angle_beta [118.0108]
_cell_angle_gamma [118.8766]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPa2(CuS3)2]
_chemical_formula_sum '[Cs1 Pa2 Cu2 S6]'
_cell_volume [302.3494]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.0000  0.5000  0.5000  1
  Pa  Pa1  2  0.3375  0.1678  0.5069  1
  Cu  Cu2  2  0.1129  0.1848  0.9361  1
  S  S3  2  0.1558  0.9917  0.7453  1
  S  S4  2  0.2513  0.8410  0.2558  1
  S  S5  2  0.4151  0.4182  0.2571  1
]