data_Si2MoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   2.81
_cell_angle_alpha   101.09
_cell_angle_beta   101.09
_cell_angle_gamma   108.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2MoW
_chemical_formula_sum   'Si2 Mo1 W1'
_cell_volume   58.33
_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  Si1  1  0.94  0.95  0.33  1.0
  Si  Si2  1  0.94  0.05  0.33  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.81  0.0  0.0  1.0

data_Si2MoW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   108.55
_cell_angle_beta   101.09
_cell_angle_gamma   101.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2MoW
_chemical_formula_sum   'Si2 Mo1 W1'
_cell_volume   58.33
_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  0.33  0.94  0.05  1.0
  Si  Si1  1  0.33  0.94  0.95  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.81  0.0  1.0

Si Si Mo W