data_SiRu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiRu2W
_chemical_formula_sum   'Si1 Ru2 W1'
_cell_volume   58.12
_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  0.29  1.0
  Ru  Ru0  1  0.0  0.0  0.03  1.0
  Ru  Ru1  1  0.49  0.0  0.11  1.0
  W  W3  1  0.49  0.0  0.17  1.0

data_SiRu2W
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.76
_cell_length_b   8.4
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   114.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   SiRu2W
_chemical_formula_sum   'Si1 Ru2 W1'
_cell_volume   58.12
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.71  0.0  1.0
  Ru  Ru1  1  0.0  0.97  0.0  1.0
  Ru  Ru2  1  0.5  0.89  0.0  1.0
  W  W3  1  0.5  0.83  0.0  1.0

Si Ru Ru W