data_InGa2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   2.99
_cell_angle_alpha   105.08
_cell_angle_beta   105.08
_cell_angle_gamma   116.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGa2Mo
_chemical_formula_sum   'In1 Ga2 Mo1'
_cell_volume   71.84
_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
  In  In2  1  0.92  0.0  0.0  1.0
  Ga  Ga0  1  0.46  0.36  0.0  1.0
  Ga  Ga1  1  0.46  0.64  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_InGa2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.08
_cell_length_c   5.55
_cell_angle_alpha   116.87
_cell_angle_beta   105.08
_cell_angle_gamma   91.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGa2Mo
_chemical_formula_sum   'In1 Ga2 Mo1'
_cell_volume   71.84
_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
  In  In0  1  0.0  0.0  0.92  1.0
  Ga  Ga1  1  0.36  0.36  0.82  1.0
  Ga  Ga2  1  0.64  0.64  0.1  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

In Ga Ga Mo
In Ga Ga Mo 0 3 + o o 1 2 o o o 