data_[In2Ni2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1664]
_cell_length_b [5.2478]
_cell_length_c [5.5114]
_cell_angle_alpha [62.0967]
_cell_angle_beta [89.3087]
_cell_angle_gamma [62.9531]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [InNiO3]
_chemical_formula_sum '[In2 Ni2 O6]'
_cell_volume [113.7220]
_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
[
  In  In0  2  0.1385  0.7291  0.4076  1
  Ni  Ni1  2  0.3432  0.3144  0.0307  1
  O  O2  2  0.0683  0.2126  0.2400  1
  O  O3  2  0.2736  0.1949  0.7677  1
  O  O4  2  0.4620  0.4793  0.2332  1
]