data_[Nb4Cu4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [12.8025]
_cell_length_b [8.9237]
_cell_length_c [9.2651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NbCuTe5]
_chemical_formula_sum '[Nb4 Cu4 Te20]'
_cell_volume [891.6881]
_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
[
  Nb  Nb0  4  0.0000  0.4330  0.2500  1
  Cu  Cu1  4  0.0000  0.0000  0.0000  1
  Te  Te2  8  0.0523  0.3204  0.5818  1
  Te  Te3  8  0.2381  0.4675  0.8821  1
  Te  Te4  4  0.0000  0.1214  0.2500  1
]