data_NbCuSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   37.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCuSb2
_chemical_formula_sum   'Nb1 Cu1 Sb2'
_cell_volume   80.38
_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  0.98  0.0  0.61  1.0
  Cu  Cu0  1  0.0  0.0  0.72  1.0
  Sb  Sb2  1  0.98  0.0  0.79  1.0
  Sb  Sb3  1  0.0  0.0  0.09  1.0

data_NbCuSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.95
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   108.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCuSb2
_chemical_formula_sum   'Nb1 Cu1 Sb2'
_cell_volume   80.38
_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  0.39  0.98  0.39  1.0
  Cu  Cu1  1  0.28  0.0  0.28  1.0
  Sb  Sb2  1  0.21  0.98  0.21  1.0
  Sb  Sb3  1  0.91  0.0  0.91  1.0

Nb Cu Sb Sb