data_[Tl6Ni4Te2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [5.4255]
_cell_length_b [9.3948]
_cell_length_c [7.2787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Ni2TeO6]
_chemical_formula_sum '[Tl6 Ni4 Te2 O12]'
_cell_volume [355.4274]
_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
[
  Tl  Tl0  4  0.0000  0.1661  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Ni  Ni2  4  0.0000  0.3333  0.0000  1.0
  Te  Te3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.2132  0.1551  0.1498  1.0
  O  O5  4  0.2479  0.5000  0.1508  1.0
]