data_Nb2InCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   4.92
_cell_angle_alpha   113.32
_cell_angle_beta   113.32
_cell_angle_gamma   33.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2InCu
_chemical_formula_sum   'Nb2 In1 Cu1'
_cell_volume   70.7
_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  0.12  0.0  0.36  1.0
  Nb  Nb3  1  0.87  0.0  0.4  1.0
  In  In1  1  0.28  0.0  0.29  1.0
  Cu  Cu0  1  0.18  0.0  0.16  1.0

data_Nb2InCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.92
_cell_length_c   5.34
_cell_angle_alpha   113.32
_cell_angle_beta   106.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2InCu
_chemical_formula_sum   'Nb2 In1 Cu1'
_cell_volume   70.7
_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  0.36  0.12  1.0
  Nb  Nb1  1  0.0  0.4  0.87  1.0
  In  In2  1  0.0  0.29  0.28  1.0
  Cu  Cu3  1  0.0  0.16  0.18  1.0

Nb Nb In Cu
Nb Nb In Cu 0 3 o o o 0 2 o o o 0 1 - o o 2 3 o o o 