data_[Co6Ni6Te4O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  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 [Cm]
_cell_length_a [10.1707]
_cell_length_b [5.7212]
_cell_length_c [9.1335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Co3Ni3(TeO8)2]
_chemical_formula_sum '[Co6 Ni6 Te4 O32]'
_cell_volume [530.7635]
_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
[
  Co  Co0  4  0.4103  0.2463  0.7849  1
  Co  Co1  2  0.3294  0.5000  0.2817  1
  Ni  Ni2  4  0.0830  0.2512  0.2887  1
  Ni  Ni3  2  0.1665  0.0000  0.7905  1
  Te  Te4  2  0.1662  0.5000  0.0087  1
  Te  Te5  2  0.3316  0.0000  0.5088  1
  O  O6  4  0.0778  0.2467  0.9086  1
  O  O7  4  0.2526  0.2794  0.1539  1
  O  O8  4  0.2673  0.2327  0.6546  1
  O  O9  4  0.4117  0.2502  0.4052  1
  O  O10  2  0.0219  0.5000  0.1583  1
  O  O11  2  0.1588  0.0000  0.4101  1
  O  O12  2  0.1753  0.5000  0.3813  1
  O  O13  2  0.3331  0.5000  0.8998  1
  O  O14  2  0.3501  0.0000  0.8907  1
  O  O15  2  0.4808  0.0000  0.6666  1
  O  O16  2  0.4848  0.5000  0.6977  1
  O  O17  2  0.4901  0.5000  0.1980  1
]