data_MgGa2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.8
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGa2Mo
_chemical_formula_sum   'Mg1 Ga2 Mo1'
_cell_volume   59.16
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.79  0.9  0.0  1.0
  Ga  Ga1  1  0.0  0.9  0.17  1.0
  Mo  Mo3  1  0.79  0.0  0.17  1.0

data_MgGa2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.8
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGa2Mo
_chemical_formula_sum   'Mg1 Ga2 Mo1'
_cell_volume   59.16
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.9  0.17  1.0
  Ga  Ga2  1  0.79  0.9  -0.0  1.0
  Mo  Mo3  1  0.79  0.0  0.17  1.0

Mg Ga Ga Mo
Mg Ga Ga Mo 0 1 - - o 0 2 o - o 1 3 o + o 2 3 - + o 