data_Ru2W3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru2W3
_chemical_formula_sum   'Ru2 W3'
_cell_volume   84.66
_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
  Ru  Ru0  1  0.12  0.22  0.8  1.0
  Ru  Ru1  1  0.0  0.45  0.63  1.0
  W  W2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.12  0.22  0.41  1.0
  W  W4  1  0.0  0.45  0.02  1.0

data_Ru2W3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru2W3
_chemical_formula_sum   'Ru2 W3'
_cell_volume   84.66
_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
  Ru  Ru0  1  0.0  0.45  0.63  1.0
  Ru  Ru1  1  0.12  0.22  0.8  1.0
  W  W2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.45  0.02  1.0
  W  W4  1  0.12  0.22  0.41  1.0

Ru Ru W W W
Ru Ru W W W 0 2 o o + 0 1 o o o 0 4 o o + 1 3 o o o 1 4 o o + 2 4 o o o 