data_Si2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Mo
_chemical_formula_sum   'Si6 Mo3'
_cell_volume   132.9
_cell_formula_units_Z   3
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  0.9  0.0  0.6  1.0
  Si  Si4  1  0.05  0.65  0.6  1.0
  Si  Si5  1  0.51  0.35  0.6  1.0
  Si  Si6  1  0.34  0.0  0.0  1.0
  Si  Si7  1  0.83  0.76  0.0  1.0
  Si  Si8  1  0.29  0.23  0.0  1.0
  Mo  Mo0  1  0.0  1.0  0.6  1.0
  Mo  Mo1  1  0.46  1.0  0.6  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Si2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   6.92
_cell_length_c   6.92
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Mo
_chemical_formula_sum   'Si6 Mo3'
_cell_volume   132.9
_cell_formula_units_Z   3
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  0.83  0.76  1.0
  Si  Si1  1  -0.0  0.29  0.23  1.0
  Si  Si2  1  0.0  0.34  0.0  1.0
  Si  Si3  1  0.6  0.05  0.65  1.0
  Si  Si4  1  0.6  0.51  0.35  1.0
  Si  Si5  1  0.6  0.9  0.0  1.0
  Mo  Mo6  1  0.0  0.0  0.0  1.0
  Mo  Mo7  1  0.6  -0.0  1.0  1.0
  Mo  Mo8  1  0.6  0.46  1.0  1.0

Si Si Si Si Si Si Mo Mo Mo