data_NbInCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34
_cell_length_b   9.34
_cell_length_c   9.34
_cell_angle_alpha   17.59
_cell_angle_beta   17.59
_cell_angle_gamma   17.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInCu2
_chemical_formula_sum   'Nb1 In1 Cu2'
_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  Nb3  1  0.0  0.0  0.0  1.0
  In  In2  1  0.0  0.0  0.78  1.0
  Cu  Cu0  1  0.0  0.0  0.91  1.0
  Cu  Cu1  1  0.0  0.0  0.66  1.0

data_NbInCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   2.86
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   100.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbInCu2
_chemical_formula_sum   'Nb2 In2 Cu4'
_cell_volume   129.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.22  1.0
  Cu  Cu2  2  0.0  0.0  0.09  1.0
  Cu  Cu3  2  0.0  0.0  0.34  1.0

Nb In Cu Cu