data_[Ni2Te4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.0877]
_cell_length_b [6.5379]
_cell_length_c [8.4996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ni(TeO3)2]
_chemical_formula_sum '[Ni2 Te4 O12]'
_cell_volume [232.7295]
_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
[
  Ni  Ni0  2  0.0000  0.0000  0.5000  1
  Te  Te1  4  0.3081  0.6487  0.7806  1
  O  O2  4  0.1758  0.5668  0.2531  1
  O  O3  4  0.2517  0.2359  0.5773  1
  O  O4  4  0.3294  0.6460  0.0208  1
]