data_[Ni2Sb1O3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1568]
_cell_length_b [2.9790]
_cell_length_c [5.4230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ni2SbO3]
_chemical_formula_sum '[Ni2 Sb1 O3]'
_cell_volume [78.7854]
_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  1  0.0548  0.5000  0.9556  1
  Ni  Ni1  1  0.4128  0.0000  0.5687  1
  Sb  Sb2  1  0.8362  0.5000  0.3789  1
  O  O3  1  0.1815  0.0000  0.2071  1
  O  O4  1  0.2133  0.5000  0.6608  1
  O  O5  1  0.8014  0.0000  0.7290  1
]