data_[Pa6Si6Sb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P6_222]
_cell_length_a [6.1790]
_cell_length_b [6.1790]
_cell_length_c [13.5237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [180]
_chemical_formula_structural [PaSiSb]
_chemical_formula_sum '[Pa6 Si6 Sb6]'
_cell_volume [447.1528]
_cell_formula_units_Z [6]
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  6  0.0000  0.5000  0.4674  1
  Si  Si1  6  0.2155  0.6077  0.6667  1
  Sb  Sb2  3  0.0000  0.0000  0.0000  1
  Sb  Sb3  3  0.0000  0.5000  0.1667  1
]