data_NbCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   134.91
_cell_angle_beta   121.12
_cell_angle_gamma   77.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCuTe2
_chemical_formula_sum   'Nb1 Cu1 Te2'
_cell_volume   81.16
_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  Nb1  1  0.0  0.0  0.04  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.98  0.0  0.73  1.0
  Te  Te3  1  0.0  0.54  0.31  1.0

data_NbCuTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   5.08
_cell_length_c   5.16
_cell_angle_alpha   119.44
_cell_angle_beta   112.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCuTe2
_chemical_formula_sum   'Nb1 Cu1 Te2'
_cell_volume   81.16
_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  0.96  0.96  0.96  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.25  0.27  0.25  1.0
  Te  Te3  1  0.69  0.23  0.23  1.0

Nb Cu Te Te