data_[Mg2Bi4Ir2O12]
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
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5745]
_cell_length_b [5.7884]
_cell_length_c [9.5619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MgBi2IrO6]
_chemical_formula_sum '[Mg2 Bi4 Ir2 O12]'
_cell_volume [255.7193]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.0000  1
  Bi  Bi1  4  0.2618  0.5647  0.7685  1
  Ir  Ir2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.1419  0.7205  0.4384  1
  O  O4  4  0.2925  0.1801  0.4741  1
  O  O5  4  0.3444  0.5355  0.2437  1
]