data_[Mn4Ir4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [6.4029]
_cell_length_b [6.4029]
_cell_length_c [6.3688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [MnIrO4]
_chemical_formula_sum '[Mn4 Ir4 O16]'
_cell_volume [261.1069]
_cell_formula_units_Z [4]
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
[
  Mn  Mn0  4  0.0000  0.0000  0.2401  1.0
  Ir  Ir1  4  0.0000  0.0000  0.7544  1.0
  O  O2  8  0.0000  0.3019  0.2440  1.0
  O  O3  8  0.0000  0.3035  0.7588  1.0
]