data_NbGa2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.47
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   98.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2Mo
_chemical_formula_sum   'Nb1 Ga2 Mo1'
_cell_volume   64.03
_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  0.23  0.0  0.87  1.0
  Ga  Ga0  1  0.74  0.23  0.99  1.0
  Ga  Ga1  1  0.21  0.0  0.35  1.0
  Mo  Mo2  1  0.95  0.23  0.44  1.0

data_NbGa2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.47
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   98.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGa2Mo
_chemical_formula_sum   'Nb1 Ga2 Mo1'
_cell_volume   64.03
_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  0.23  0.0  0.87  1.0
  Ga  Ga1  1  0.21  0.0  0.35  1.0
  Ga  Ga2  1  0.74  0.23  0.99  1.0
  Mo  Mo3  1  0.95  0.23  0.44  1.0

Nb Ga Ga Mo
Nb Ga Ga Mo 0 1 - o o 0 1 o o o 2 3 - o o 