data_CrRu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   3.74
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRu2W
_chemical_formula_sum   'Cr1 Ru2 W1'
_cell_volume   56.67
_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
  Cr  Cr0  1  0.0  0.0  0.22  1.0
  Ru  Ru1  1  0.38  0.87  0.38  1.0
  Ru  Ru2  1  0.0  0.0  0.39  1.0
  W  W3  1  0.38  0.87  0.74  1.0

data_CrRu2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.74
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRu2W
_chemical_formula_sum   'Cr1 Ru2 W1'
_cell_volume   56.67
_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
  Cr  Cr0  1  0.0  0.0  0.22  1.0
  Ru  Ru1  1  0.0  0.0  0.39  1.0
  Ru  Ru2  1  0.38  0.87  0.38  1.0
  W  W3  1  0.38  0.87  0.74  1.0

Cr Ru Ru W
Cr Ru Ru W 0 2 o o o 1 2 o + o 1 3 o o o 2 3 o - o 