data_NbInCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   5.01
_cell_angle_alpha   104.11
_cell_angle_beta   104.11
_cell_angle_gamma   35.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInCu2
_chemical_formula_sum   'Nb1 In1 Cu2'
_cell_volume   65.55
_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  0.51  0.0  0.01  1.0
  In  In2  1  0.02  0.0  0.62  1.0
  Cu  Cu0  1  0.04  0.0  0.02  1.0
  Cu  Cu1  1  0.48  0.0  0.61  1.0

data_NbInCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.83
_cell_length_c   5.01
_cell_angle_alpha   104.11
_cell_angle_beta   90.0
_cell_angle_gamma   107.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbInCu2
_chemical_formula_sum   'Nb1 In1 Cu2'
_cell_volume   65.55
_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  0.49  0.99  1.0
  In  In1  1  0.0  0.98  0.38  1.0
  Cu  Cu2  1  0.0  0.52  0.39  1.0
  Cu  Cu3  1  0.0  0.96  0.98  1.0

Nb In Cu Cu