data_[Pa12Sb8As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.4525]
_cell_length_b [12.8001]
_cell_length_c [7.3349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4583]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pa3Sb2As]
_chemical_formula_sum '[Pa12 Sb8 As4]'
_cell_volume [659.7282]
_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  8  0.2186  0.4238  0.9882  1
  Pa  Pa1  4  0.2500  0.2500  0.5000  1
  Sb  Sb2  4  0.0000  0.0795  0.2500  1
  Sb  Sb3  4  0.0000  0.2367  0.7500  1
  As  As4  4  0.0000  0.4071  0.2500  1
]