data_Si2PbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   134.07
_cell_angle_beta   134.07
_cell_angle_gamma   66.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2PbW
_chemical_formula_sum   'Si2 Pb1 W1'
_cell_volume   72.34
_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  0.04  0.0  0.18  1.0
  Pb  Pb0  1  0.0  0.04  0.18  1.0
  W  W3  1  0.0  0.0  0.36  1.0

data_Si2PbW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   5.22
_cell_angle_alpha   112.97
_cell_angle_beta   112.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2PbW
_chemical_formula_sum   'Si2 Pb1 W1'
_cell_volume   72.34
_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  0.82  0.0  0.86  1.0
  Pb  Pb2  1  0.86  0.04  0.86  1.0
  W  W3  1  0.64  0.0  0.64  1.0

Si Si Pb W
Si Si Pb W 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 