data_NbGa2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.97
_cell_angle_alpha   107.86
_cell_angle_beta   107.86
_cell_angle_gamma   33.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2Cu
_chemical_formula_sum   'Nb1 Ga2 Cu1'
_cell_volume   62.53
_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  0.89  0.0  0.36  1.0
  Ga  Ga1  1  0.49  0.0  0.13  1.0
  Ga  Ga2  1  0.28  0.0  0.58  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_NbGa2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.89
_cell_length_c   4.97
_cell_angle_alpha   107.86
_cell_angle_beta   90.0
_cell_angle_gamma   106.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2Cu
_chemical_formula_sum   'Nb1 Ga2 Cu1'
_cell_volume   62.53
_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  0.11  0.64  1.0
  Ga  Ga1  1  0.0  0.51  0.87  1.0
  Ga  Ga2  1  0.0  0.72  0.42  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Nb Ga Ga Cu
Nb Ga Ga Cu 0 1 o o o 0 3 + o o 0 2 + o o 1 3 o o o 