data_YRu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   123.0
_cell_angle_beta   120.05
_cell_angle_gamma   87.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRu2W
_chemical_formula_sum   'Y1 Ru2 W1'
_cell_volume   68.24
_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  0.0  1.0
  Ru  Ru0  1  0.0  0.31  0.63  1.0
  Ru  Ru1  1  0.21  0.0  0.72  1.0
  W  W2  1  0.0  0.0  0.34  1.0

data_YRu2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.62
_cell_length_c   4.63
_cell_angle_alpha   119.97
_cell_angle_beta   118.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRu2W
_chemical_formula_sum   'Y1 Ru2 W1'
_cell_volume   68.24
_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  Y0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.72  0.51  1.0
  Ru  Ru2  1  0.69  0.32  0.32  1.0
  W  W3  1  0.0  0.34  0.34  1.0

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