data_[Ni4Te2O8]
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 [C2/m]
_cell_length_a [11.3687]
_cell_length_b [3.2574]
_cell_length_c [5.1127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni2TeO4]
_chemical_formula_sum '[Ni4 Te2 O8]'
_cell_volume [171.8172]
_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  4  0.2118  0.5000  0.6911  1
  Te  Te1  2  0.0000  0.0000  0.0000  1
  O  O2  4  0.1312  0.5000  0.9724  1
  O  O3  4  0.1398  0.0000  0.4441  1
]