data_InGeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.52
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   104.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGeMo2
_chemical_formula_sum   'In1 Ge1 Mo2'
_cell_volume   71.1
_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  0.74  0.26  0.95  1.0
  Ge  Ge0  1  0.18  0.0  0.48  1.0
  Mo  Mo2  1  0.68  0.0  0.17  1.0
  Mo  Mo3  1  0.79  0.26  0.31  1.0

data_InGeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.52
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   104.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGeMo2
_chemical_formula_sum   'In1 Ge1 Mo2'
_cell_volume   71.1
_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  0.74  0.26  0.95  1.0
  Ge  Ge1  1  0.18  0.0  0.48  1.0
  Mo  Mo2  1  0.68  0.0  0.17  1.0
  Mo  Mo3  1  0.79  0.26  0.31  1.0

In Ge Mo Mo