data_In2GeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   7.01
_cell_angle_alpha   156.44
_cell_angle_beta   138.83
_cell_angle_gamma   47.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GeMo
_chemical_formula_sum   'In2 Ge1 Mo1'
_cell_volume   90.39
_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  0.43  0.0  0.37  1.0
  In  In2  1  0.0  0.0  0.35  1.0
  Ge  Ge0  1  0.0  0.0  0.38  1.0
  Mo  Mo3  1  0.43  0.0  0.12  1.0

data_In2GeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.93
_cell_length_c   7.01
_cell_angle_alpha   110.58
_cell_angle_beta   101.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GeMo
_chemical_formula_sum   'In2 Ge1 Mo1'
_cell_volume   90.39
_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  0.06  0.63  0.06  1.0
  In  In1  1  0.65  0.65  0.65  1.0
  Ge  Ge2  1  0.62  0.62  0.62  1.0
  Mo  Mo3  1  0.31  0.88  0.31  1.0

In In Ge Mo