data_In2GeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   135.36
_cell_angle_beta   135.36
_cell_angle_gamma   64.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GeMo
_chemical_formula_sum   'In2 Ge1 Mo1'
_cell_volume   77.57
_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  0.06  0.0  0.29  1.0
  In  In2  1  0.0  0.06  0.29  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.57  1.0

data_In2GeMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   122.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2GeMo
_chemical_formula_sum   'In4 Ge2 Mo2'
_cell_volume   155.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.24  0.47  0.77  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.43  0.0  0.43  1.0

In In Ge Mo