data_[Pa2Ni2Bi2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3608]
_cell_length_b [5.9708]
_cell_length_c [7.8929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PaNiBiS4]
_chemical_formula_sum '[Pa2 Ni2 Bi2 S8]'
_cell_volume [288.1896]
_cell_formula_units_Z [2]
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  2  0.2419  0.2500  0.5479  1
  Ni  Ni1  2  0.2340  0.7500  0.3568  1
  Bi  Bi2  2  0.2805  0.2500  0.0403  1
  S  S3  4  0.0138  0.5079  0.7283  1
  S  S4  2  0.4096  0.7500  0.1363  1
  S  S5  2  0.4438  0.7500  0.6210  1
]