data_[Pa4Bi2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2813]
_cell_length_b [4.1942]
_cell_length_c [8.5086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa2BiSe6]
_chemical_formula_sum '[Pa4 Bi2 Se12]'
_cell_volume [633.2582]
_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  0.1652  0.0000  0.3269  1
  Bi  Bi1  2  0.0000  0.5000  0.0000  1
  Se  Se2  4  0.0101  0.0000  0.2499  1
  Se  Se3  4  0.1673  0.5000  0.1052  1
  Se  Se4  4  0.1738  0.5000  0.5588  1
]