data_[Pa4Ni2S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7041]
_cell_length_b [7.1909]
_cell_length_c [10.1543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pa2NiS6]
_chemical_formula_sum '[Pa4 Ni2 S12]'
_cell_volume [349.7750]
_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  4  0.3298  0.1290  0.7565  1
  Ni  Ni1  2  0.5000  0.0000  0.5000  1
  S  S2  4  0.1382  0.0185  0.2523  1
  S  S3  4  0.2121  0.6596  0.0491  1
  S  S4  4  0.3950  0.1678  0.0554  1
]