data_NbVCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   143.58
_cell_angle_beta   133.57
_cell_angle_gamma   60.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVCu2
_chemical_formula_sum   'Nb1 V1 Cu2'
_cell_volume   55.41
_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  0.38  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.58  0.0  0.14  1.0
  Cu  Cu1  1  0.0  1.0  0.24  1.0

data_NbVCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.0
_cell_length_c   5.07
_cell_angle_alpha   113.22
_cell_angle_beta   108.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVCu2
_chemical_formula_sum   'Nb1 V1 Cu2'
_cell_volume   55.41
_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  0.0  0.38  0.38  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.14  0.56  1.0
  Cu  Cu3  1  0.0  0.24  0.24  1.0

Nb V Cu Cu