data_Si2AsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   140.7
_cell_angle_beta   124.86
_cell_angle_gamma   69.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2AsW
_chemical_formula_sum   'Si2 As1 W1'
_cell_volume   59.06
_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  0.64  0.0  0.9  1.0
  Si  Si2  1  0.0  0.26  0.1  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  1.0  1.0

data_Si2AsW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.51
_cell_length_c   4.87
_cell_angle_alpha   117.57
_cell_angle_beta   109.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2AsW
_chemical_formula_sum   'Si2 As1 W1'
_cell_volume   59.06
_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  0.9  0.26  1.0
  Si  Si1  1  0.74  0.84  0.84  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  1.0  1.0  1.0

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