data_[Cu4Ni2Te6]
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 [P-1]
_cell_length_a [3.9740]
_cell_length_b [6.7954]
_cell_length_c [10.0320]
_cell_angle_alpha [96.3400]
_cell_angle_beta [100.9171]
_cell_angle_gamma [90.2670]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu2NiTe3]
_chemical_formula_sum '[Cu4 Ni2 Te6]'
_cell_volume [264.2921]
_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
[
  Cu  Cu0  2  0.0299  0.1652  0.0719  1.0
  Cu  Cu1  2  0.2841  0.5748  0.5733  1.0
  Ni  Ni2  2  0.3397  0.9451  0.6846  1.0
  Te  Te3  2  0.1022  0.8497  0.1957  1.0
  Te  Te4  2  0.2452  0.2002  0.4906  1.0
  Te  Te5  2  0.4214  0.6264  0.8338  1.0
]