data_[Nb8Ni4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2029]
_cell_length_b [6.6873]
_cell_length_c [7.4929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2NiO6]
_chemical_formula_sum '[Nb8 Ni4 O24]'
_cell_volume [425.2859]
_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
[
  Nb  Nb0  4  0.1551  0.0000  0.6840  1.0
  Nb  Nb1  2  0.0000  0.5000  0.0000  1.0
  Nb  Nb2  2  0.0000  0.5000  0.5000  1.0
  Ni  Ni3  4  0.1582  0.0000  0.1623  1.0
  O  O4  8  0.1579  0.3000  0.6589  1.0
  O  O5  4  0.0000  0.2090  0.0000  1.0
  O  O6  4  0.0664  0.0000  0.3753  1.0
  O  O7  4  0.1048  0.5000  0.3007  1.0
  O  O8  4  0.2336  0.5000  0.0396  1.0
]