data_[Co4Ni2Te12]
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
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [5.9778]
_cell_length_b [5.9778]
_cell_length_c [11.8387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Co2NiTe6]
_chemical_formula_sum '[Co4 Ni2 Te12]'
_cell_volume [423.0397]
_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  0.0000  0.0000  0.1654  1
  Ni  Ni1  2  0.0000  0.0000  0.5000  1
  Te  Te2  8  0.1965  0.8035  0.3307  1
  Te  Te3  4  0.1950  0.8050  0.0000  1
]