data_[Cu4Ni4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3761]
_cell_length_b [3.8894]
_cell_length_c [7.6709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuNiTe]
_chemical_formula_sum '[Cu4 Ni4 Te4]'
_cell_volume [219.6187]
_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
[
  Cu  Cu0  4  0.1594  0.0000  0.0545  1
  Ni  Ni1  4  0.0157  0.5000  0.8300  1
  Te  Te2  4  0.1877  0.0000  0.7059  1
]