data_NbCu2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.85
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCu2Sb
_chemical_formula_sum   'Nb1 Cu2 Sb1'
_cell_volume   67.17
_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  0.0  1.0
  Cu  Cu0  1  0.56  0.93  0.33  1.0
  Cu  Cu1  1  0.56  0.93  0.27  1.0
  Sb  Sb3  1  0.0  0.0  0.8  1.0

data_NbCu2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.85
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCu2Sb
_chemical_formula_sum   'Nb1 Cu2 Sb1'
_cell_volume   67.17
_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  0.0  0.0  1.0
  Cu  Cu1  1  0.56  0.93  0.27  1.0
  Cu  Cu2  1  0.56  0.93  0.33  1.0
  Sb  Sb3  1  0.0  0.0  0.8  1.0

Nb Cu Cu Sb