data_[Ca4Al4Bi4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.0003]
_cell_length_b [9.4805]
_cell_length_c [7.1954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaAlBiO4]
_chemical_formula_sum '[Ca4 Al4 Bi4 O16]'
_cell_volume [409.3178]
_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  4  0.0000  0.5000  0.0000  1.0
  Al  Al1  4  0.0000  0.1494  0.7500  1.0
  Bi  Bi2  4  0.0000  0.1682  0.2500  1.0
  O  O3  8  0.0000  0.2563  0.5520  1.0
  O  O4  8  0.2271  0.0210  0.7500  1.0
]