data_Si2BW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   139.89
_cell_angle_beta   122.14
_cell_angle_gamma   72.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2BW
_chemical_formula_sum   'Si2 B1 W1'
_cell_volume   49.18
_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  0.18  0.31  1.0
  Si  Si2  1  0.0  0.0  0.74  1.0
  B  B0  1  0.0  0.0  0.6  1.0
  W  W3  1  0.0  0.18  0.26  1.0

data_Si2BW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.37
_cell_length_c   4.52
_cell_angle_alpha   118.93
_cell_angle_beta   110.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2BW
_chemical_formula_sum   'Si2 B1 W1'
_cell_volume   49.18
_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  0.74  0.74  1.0
  Si  Si1  1  0.82  0.13  0.13  1.0
  B  B2  1  0.0  0.6  0.6  1.0
  W  W3  1  0.82  0.07  0.07  1.0

Si Si B W
Si Si B W 0 3 o o o 1 2 o o o 