data_[Ca8Pa8Bi20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pa  1.5000  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.2606]
_cell_length_b [8.3501]
_cell_length_c [8.4476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ca2Pa2Bi5]
_chemical_formula_sum '[Ca8 Pa8 Bi20]'
_cell_volume [1146.9989]
_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
[
  Ca  Ca0  8  0.2026  0.0000  0.0000  1
  Pa  Pa1  8  0.0000  0.1414  0.3567  1
  Bi  Bi2  16  0.1318  0.1587  0.6559  1
  Bi  Bi3  4  0.0000  0.0000  0.0000  1
]