data_[Nb4Cu4Te8]
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 [P2_1/c]
_cell_length_a [8.7046]
_cell_length_b [6.5158]
_cell_length_c [8.1222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NbCuTe2]
_chemical_formula_sum '[Nb4 Cu4 Te8]'
_cell_volume [409.8973]
_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  0.4808  0.0183  0.6745  1.0
  Cu  Cu1  4  0.3900  0.6460  0.4457  1.0
  Te  Te2  4  0.2049  0.7429  0.6056  1.0
  Te  Te3  4  0.2837  0.2497  0.3592  1.0
]