data_Si2SnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.77
_cell_angle_alpha   90.03
_cell_angle_beta   90.03
_cell_angle_gamma   45.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SnW
_chemical_formula_sum   'Si2 Sn1 W1'
_cell_volume   82.3
_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  0.14  0.0  0.38  1.0
  Si  Si1  1  0.52  0.0  0.81  1.0
  Sn  Sn2  1  0.7  0.0  0.23  1.0
  W  W3  1  0.04  0.0  0.01  1.0

data_Si2SnW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.48
_cell_length_c   5.77
_cell_angle_alpha   90.03
_cell_angle_beta   90.0
_cell_angle_gamma   112.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SnW
_chemical_formula_sum   'Si2 Sn1 W1'
_cell_volume   82.3
_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  0.48  0.19  1.0
  Si  Si1  1  0.0  0.86  0.62  1.0
  Sn  Sn2  1  0.0  0.3  0.77  1.0
  W  W3  1  0.0  0.96  0.99  1.0

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