data_[Mg2Ir2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [5.2393]
_cell_length_b [4.5156]
_cell_length_c [5.5723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [MgIrO4]
_chemical_formula_sum '[Mg2 Ir2 O8]'
_cell_volume [131.8332]
_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  0.8435  1
  Ir  Ir1  2  0.0000  0.0000  0.1382  1
  O  O2  4  0.1556  0.7453  0.3832  1
  O  O3  4  0.3124  0.2147  0.1259  1
]