data_InGaMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.02
_cell_angle_alpha   97.45
_cell_angle_beta   97.45
_cell_angle_gamma   32.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaMo2
_chemical_formula_sum   'In1 Ga1 Mo2'
_cell_volume   68.38
_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  0.91  0.0  0.74  1.0
  Ga  Ga0  1  0.44  0.0  0.44  1.0
  Mo  Mo2  1  0.02  0.0  0.04  1.0
  Mo  Mo3  1  0.07  0.0  0.26  1.0

data_InGaMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.02
_cell_length_c   5.03
_cell_angle_alpha   97.45
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaMo2
_chemical_formula_sum   'In1 Ga1 Mo2'
_cell_volume   68.38
_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  0.74  0.91  1.0
  Ga  Ga1  1  0.0  0.44  0.44  1.0
  Mo  Mo2  1  0.0  0.04  0.02  1.0
  Mo  Mo3  1  0.0  0.26  0.07  1.0

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