data_[Co8Ni4Te16]
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_122]
_cell_length_a [7.4670]
_cell_length_b [7.4670]
_cell_length_c [10.5544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [91]
_chemical_formula_structural [Co2NiTe4]
_chemical_formula_sum '[Co8 Ni4 Te16]'
_cell_volume [588.4695]
_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
[
  Co  Co0  4  0.0000  0.2489  0.0000  1
  Co  Co1  4  0.2516  0.2516  0.3750  1
  Ni  Ni2  4  0.2488  0.5000  0.7500  1
  Te  Te3  8  0.0118  0.2462  0.7579  1
  Te  Te4  8  0.2462  0.4843  0.9941  1
]