data_[Cu1Ni2Sb1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  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 [P1]
_cell_length_a [5.0002]
_cell_length_b [5.2339]
_cell_length_c [5.3328]
_cell_angle_alpha [63.9733]
_cell_angle_beta [89.0907]
_cell_angle_gamma [63.6737]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CuNi2SbO6]
_chemical_formula_sum '[Cu1 Ni2 Sb1 O6]'
_cell_volume [109.5990]
_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
[
  Cu  Cu0  1  0.8187  0.3661  0.4521  1.0
  Ni  Ni1  1  0.0094  0.9645  0.0477  1.0
  Ni  Ni2  1  0.5428  0.9282  0.5684  1.0
  Sb  Sb3  1  0.3169  0.3661  0.9575  1.0
  O  O4  1  0.0764  0.4990  0.2340  1.0
  O  O5  1  0.2510  0.8086  0.7777  1.0
  O  O6  1  0.3919  0.9172  0.2220  1.0
  O  O7  1  0.6134  0.1788  0.7386  1.0
  O  O8  1  0.7155  0.1824  0.2538  1.0
  O  O9  1  0.9257  0.4659  0.7330  1.0
]