data_NbGa2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85
_cell_length_b   8.85
_cell_length_c   8.85
_cell_angle_alpha   18.8
_cell_angle_beta   18.8
_cell_angle_gamma   18.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2Cu
_chemical_formula_sum   'Nb1 Ga2 Cu1'
_cell_volume   62.85
_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  0.03  1.0
  Ga  Ga1  1  0.0  0.0  0.64  1.0
  Ga  Ga2  1  0.0  0.0  0.43  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_NbGa2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   2.89
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   100.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbGa2Cu
_chemical_formula_sum   'Nb2 Ga4 Cu2'
_cell_volume   125.7
_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  0.97  1.0
  Ga  Ga1  2  -0.0  0.0  0.57  1.0
  Ga  Ga2  2  -0.0  0.0  0.36  1.0
  Cu  Cu3  2  0.0  0.0  0.0  1.0

Nb Ga Ga Cu