data_[Ni12Te8O32]
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]
_cell_length_a [12.8663]
_cell_length_b [4.9581]
_cell_length_c [12.8771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Ni3(TeO4)2]
_chemical_formula_sum '[Ni12 Te8 O32]'
_cell_volume [711.7229]
_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
[
  Ni  Ni0  2  0.0715  0.9666  0.6402  1
  Ni  Ni1  2  0.0720  0.9671  0.4307  1
  Ni  Ni2  2  0.3583  0.9668  0.4309  1
  Ni  Ni3  2  0.3587  0.9691  0.9285  1
  Ni  Ni4  2  0.4300  0.4673  0.0716  1
  Ni  Ni5  2  0.4311  0.4664  0.3597  1
  Te  Te6  2  0.1364  0.5374  0.8611  1
  Te  Te7  2  0.1374  0.5320  0.2754  1
  Te  Te8  2  0.2739  0.0382  0.1380  1
  Te  Te9  2  0.3331  0.8526  0.6666  1
  O  O10  2  0.0339  0.1371  0.0480  1
  O  O11  2  0.0435  0.6625  0.5218  1
  O  O12  2  0.0514  0.2931  0.7296  1
  O  O13  2  0.0514  0.2919  0.3232  1
  O  O14  2  0.1943  0.0790  0.5971  1
  O  O15  2  0.2059  0.7696  0.7938  1
  O  O16  2  0.2063  0.7647  0.4125  1
  O  O17  2  0.2694  0.2951  0.9483  1
  O  O18  2  0.2715  0.2927  0.3232  1
  O  O19  2  0.3200  0.7958  0.0513  1
  O  O20  2  0.3205  0.7945  0.2694  1
  O  O21  2  0.4028  0.0785  0.5973  1
  O  O22  2  0.4030  0.0780  0.8058  1
  O  O23  2  0.4105  0.2709  0.2056  1
  O  O24  2  0.4785  0.6624  0.5215  1
  O  O25  2  0.4785  0.6636  0.9572  1
]