data_[Ba3Ca3Bi12O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [R3m]
_cell_length_a [7.1592]
_cell_length_b [7.1592]
_cell_length_c [17.8545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaCa(BiO2)4]
_chemical_formula_sum '[Ba3 Ca3 Bi12 O24]'
_cell_volume [792.5041]
_cell_formula_units_Z [3]
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
[
  Ba  Ba0  3  0.0000  0.0000  0.6269  1.0
  Ca  Ca1  3  0.0000  0.0000  0.0002  1.0
  Bi  Bi2  9  0.0045  0.5023  0.5025  1.0
  Bi  Bi3  3  0.0000  0.0000  0.3778  1.0
  O  O4  9  0.0184  0.5092  0.7483  1.0
  O  O5  9  0.1915  0.3831  0.5732  1.0
  O  O6  3  0.0000  0.0000  0.2515  1.0
  O  O7  3  0.0000  0.0000  0.7714  1.0
]