data_[Mg3Bi12O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [7.1206]
_cell_length_b [7.1206]
_cell_length_c [14.6427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mg(BiO2)4]
_chemical_formula_sum '[Mg3 Bi12 O24]'
_cell_volume [642.9683]
_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
[
  Mg  Mg0  3  -0.0000  -0.0000  0.5000  1
  Bi  Bi1  9  0.0000  0.5000  0.0000  1
  Bi  Bi2  3  0.0000  0.0000  0.0000  1
  O  O3  18  0.0277  0.5138  0.2516  1
  O  O4  6  0.0000  0.0000  0.2622  1
]