data_InGaMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   5.06
_cell_angle_alpha   100.76
_cell_angle_beta   100.76
_cell_angle_gamma   34.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaMo2
_chemical_formula_sum   'In1 Ga1 Mo2'
_cell_volume   68.84
_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  In1  1  0.22  0.0  0.48  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.78  0.0  0.17  1.0
  Mo  Mo3  1  0.65  0.0  0.79  1.0

data_InGaMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.93
_cell_length_c   5.06
_cell_angle_alpha   100.76
_cell_angle_beta   90.0
_cell_angle_gamma   107.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaMo2
_chemical_formula_sum   'In1 Ga1 Mo2'
_cell_volume   68.84
_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  0.78  0.52  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.22  0.83  1.0
  Mo  Mo3  1  0.0  0.35  0.21  1.0

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