data_[Mg4Ni2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  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 [5.1096]
_cell_length_b [5.3223]
_cell_length_c [9.1109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mg2NiIrO6]
_chemical_formula_sum '[Mg4 Ni2 Ir2 O12]'
_cell_volume [205.0264]
_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  4  0.2616  0.5642  0.7485  1.0
  Ni  Ni1  2  0.0000  0.0000  0.5000  1.0
  Ir  Ir2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1210  0.5683  0.2583  1.0
  O  O4  4  0.2581  0.1811  0.0701  1.0
  O  O5  4  0.4030  0.6913  0.0755  1.0
]