data_SiGe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.32
_cell_angle_alpha   93.25
_cell_angle_beta   93.25
_cell_angle_gamma   37.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiGe2Mo
_chemical_formula_sum   'Si1 Ge2 Mo1'
_cell_volume   63.86
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.01  0.0  0.19  1.0
  Ge  Ge1  1  0.09  0.0  0.13  1.0
  Mo  Mo2  1  0.55  0.0  0.16  1.0

data_SiGe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.32
_cell_length_c   4.94
_cell_angle_alpha   93.25
_cell_angle_beta   108.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiGe2Mo
_chemical_formula_sum   'Si1 Ge2 Mo1'
_cell_volume   63.86
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.13  0.09  1.0
  Ge  Ge2  1  0.0  0.19  0.01  1.0
  Mo  Mo3  1  0.0  0.16  0.55  1.0

Si Ge Ge Mo
Si Ge Ge Mo 0 2 o o o 0 1 o o o 0 3 o o o 0 3 - o o 1 2 o o o 1 3 o o o 1 3 - o o 2 3 o o o 2 3 - o o 