data_[Ni2Ge1Ir1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.6448]
_cell_length_b [5.6448]
_cell_length_c [3.7851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Ni2GeIrO6]
_chemical_formula_sum '[Ni2 Ge1 Ir1 O6]'
_cell_volume [120.6054]
_cell_formula_units_Z [1]
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
[
  Ni  Ni0  2  0.0000  0.5000  0.8715  1
  Ge  Ge1  1  0.0000  0.0000  0.6605  1
  Ir  Ir2  1  0.5000  0.5000  0.6794  1
  O  O3  4  0.2432  0.2432  0.7475  1
  O  O4  1  0.0000  0.0000  0.1905  1
  O  O5  1  0.5000  0.5000  0.1835  1
]