data_Si2MoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   2.88
_cell_angle_alpha   105.37
_cell_angle_beta   105.37
_cell_angle_gamma   111.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2MoAu
_chemical_formula_sum   'Si2 Mo1 Au1'
_cell_volume   63.12
_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  Si2  1  0.45  0.87  0.0  1.0
  Si  Si3  1  0.45  0.13  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.91  0.0  0.0  1.0

data_Si2MoAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.14
_cell_length_c   5.16
_cell_angle_alpha   119.31
_cell_angle_beta   105.37
_cell_angle_gamma   91.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2MoAu
_chemical_formula_sum   'Si2 Mo1 Au1'
_cell_volume   63.12
_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  0.13  0.13  0.59  1.0
  Si  Si1  1  0.87  0.87  0.32  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.0  0.91  1.0

Si Si Mo Au