data_[Ba12Ga6Bi6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9716]
_cell_length_b [5.9716]
_cell_length_c [29.9426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2GaBiO6]
_chemical_formula_sum '[Ba12 Ga6 Bi6 O36]'
_cell_volume [924.7003]
_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
[
  Ba  Ba0  6  0.0000  0.0000  0.1302  1.0
  Ba  Ba1  6  0.0000  0.0000  0.2851  1.0
  Ga  Ga2  3  -0.0000  -0.0000  0.5000  1.0
  Ga  Ga3  3  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  6  0.0000  0.0000  0.4083  1.0
  O  O5  18  0.0173  0.5087  0.7060  1.0
  O  O6  18  0.0241  0.5120  0.1242  1.0
]