data_NbCu2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   138.78
_cell_angle_beta   134.37
_cell_angle_gamma   63.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCu2Te
_chemical_formula_sum   'Nb1 Cu2 Te1'
_cell_volume   64.89
_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
  Nb  Nb2  1  0.0  0.0  0.05  1.0
  Cu  Cu0  1  0.0  0.0  0.28  1.0
  Cu  Cu1  1  0.83  0.0  0.32  1.0
  Te  Te3  1  0.0  0.01  0.19  1.0

data_NbCu2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.02
_cell_length_c   5.19
_cell_angle_alpha   112.82
_cell_angle_beta   110.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCu2Te
_chemical_formula_sum   'Nb1 Cu2 Te1'
_cell_volume   64.89
_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
  Nb  Nb0  1  0.95  0.95  0.95  1.0
  Cu  Cu1  1  0.5  0.68  0.5  1.0
  Cu  Cu2  1  0.72  0.72  0.72  1.0
  Te  Te3  1  0.81  0.82  0.82  1.0

Nb Cu Cu Te