data_[Ca8Fe8Bi8O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Fe  1.8300  1.4000  0.8525
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [5.5984]
_cell_length_b [15.3969]
_cell_length_c [11.3799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [CaFeBiO5]
_chemical_formula_sum '[Ca8 Fe8 Bi8 O40]'
_cell_volume [980.9238]
_cell_formula_units_Z [8]
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  0.0063  0.5505  0.1405  1
  Fe  Fe1  8  0.0228  0.5970  0.5975  1
  Bi  Bi2  8  0.0510  0.2317  0.1548  1
  O  O3  8  0.0809  0.6975  0.6784  1
  O  O4  8  0.1432  0.0246  0.8181  1
  O  O5  8  0.1703  0.1273  0.0259  1
  O  O6  8  0.1894  0.0742  0.5454  1
  O  O7  8  0.2409  0.6506  0.2688  1
]