data_[Ca6Bi6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.8818]
_cell_length_b [5.8818]
_cell_length_c [15.4497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CaBiO3]
_chemical_formula_sum '[Ca6 Bi6 O18]'
_cell_volume [462.8887]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.2826  1.0
  Ca  Ca1  3  0.0000  0.0000  0.7874  1.0
  Bi  Bi2  3  0.0000  0.0000  0.0047  1.0
  Bi  Bi3  3  0.0000  0.0000  0.4962  1.0
  O  O4  9  0.0465  0.7055  0.5623  1.0
  O  O5  9  0.0591  0.3757  0.0685  1.0
]