data_Si2Pt2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   142.42
_cell_angle_beta   142.42
_cell_angle_gamma   54.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Pt2W
_chemical_formula_sum   'Si2 Pt2 W1'
_cell_volume   76.88
_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  0.0  0.0  0.4  1.0
  Si  Si3  1  0.0  0.0  0.15  1.0
  Pt  Pt0  1  0.0  0.91  0.64  1.0
  Pt  Pt1  1  0.91  0.0  0.64  1.0
  W  W4  1  0.0  0.0  0.0  1.0

data_Si2Pt2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   117.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si2Pt2W
_chemical_formula_sum   'Si4 Pt4 W2'
_cell_volume   153.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.6  1.0
  Si  Si1  2  0.0  0.0  0.85  1.0
  Pt  Pt2  4  0.45  0.45  0.27  1.0
  W  W3  2  0.0  0.0  0.0  1.0

Si Si Pt Pt W
Si Si Pt Pt W 0 1 o o o 1 4 o o o 2 3 - + o 