data_[Cu4Ni8Te12]
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 [19.1257]
_cell_length_b [3.9283]
_cell_length_c [6.7931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuNi2Te3]
_chemical_formula_sum '[Cu4 Ni8 Te12]'
_cell_volume [506.5977]
_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  0.1440  0.5000  0.0436  1.0
  Ni  Ni1  4  0.0483  0.0000  0.1586  1.0
  Ni  Ni2  4  0.2142  0.5000  0.4060  1.0
  Te  Te3  4  0.0810  0.0000  0.8177  1.0
  Te  Te4  4  0.0834  0.5000  0.3766  1.0
  Te  Te5  4  0.2446  0.5000  0.7728  1.0
]