data_Si2PtW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   139.35
_cell_angle_beta   139.35
_cell_angle_gamma   58.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2PtW
_chemical_formula_sum   'Si2 Pt1 W1'
_cell_volume   57.78
_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  0.0  0.0  0.0  1.0
  Si  Si2  1  0.79  0.0  0.25  1.0
  Pt  Pt0  1  0.0  0.79  0.25  1.0
  W  W3  1  0.0  0.0  0.5  1.0

data_Si2PtW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   5.16
_cell_angle_alpha   110.32
_cell_angle_beta   110.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2PtW
_chemical_formula_sum   'Si2 Pt1 W1'
_cell_volume   57.78
_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
  Si  Si1  1  0.25  0.46  0.46  1.0
  Pt  Pt2  1  0.46  0.25  0.46  1.0
  W  W3  1  0.5  0.5  0.5  1.0

Si Si Pt W
Si Si Pt W 0 1 - o o 0 2 o - o 0 3 o o - 0 3 o o o 1 3 + o o 2 3 o + o 