data_[Ta1Nb1Cu6Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [8.5252]
_cell_length_b [8.5252]
_cell_length_c [6.0153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [TaNb(Cu3Te4)2]
_chemical_formula_sum '[Ta1 Nb1 Cu6 Te8]'
_cell_volume [437.1859]
_cell_formula_units_Z [1]
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
[
  Ta  Ta0  1  0.5000  0.5000  0.0000  1.0
  Nb  Nb1  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.2500  0.2500  0.0000  1.0
  Cu  Cu3  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu4  1  0.5000  0.5000  0.5000  1.0
  Te  Te5  4  0.0000  0.2556  0.2552  1.0
  Te  Te6  4  0.2444  0.5000  0.7445  1.0
]