data_YRu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   4.21
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRu2W
_chemical_formula_sum   'Y1 Ru2 W1'
_cell_volume   73.98
_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
  Y  Y3  1  0.0  0.0  0.59  1.0
  Ru  Ru0  1  0.52  0.1  0.02  1.0
  Ru  Ru1  1  0.0  0.0  0.74  1.0
  W  W2  1  0.52  0.1  0.36  1.0

data_YRu2W
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.21
_cell_length_b   3.03
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YRu2W
_chemical_formula_sum   'Y1 Ru2 W1'
_cell_volume   73.98
_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
  Y  Y0  1  0.0  0.0  0.59  1.0
  Ru  Ru1  1  0.0  0.0  0.74  1.0
  Ru  Ru2  1  0.1  0.5  0.02  1.0
  W  W3  1  0.1  0.5  0.36  1.0

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