data_YRu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   120.92
_cell_angle_beta   120.92
_cell_angle_gamma   88.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRu2W
_chemical_formula_sum   'Y1 Ru2 W1'
_cell_volume   68.4
_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  0.27  0.0  0.65  1.0
  Ru  Ru1  1  0.0  0.27  0.65  1.0
  W  W2  1  0.0  0.0  0.31  1.0

data_YRu2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   134.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YRu2W
_chemical_formula_sum   'Y2 Ru4 W2'
_cell_volume   136.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ru  Ru1  4  0.36  0.36  0.38  1.0
  W  W2  2  0.0  0.0  0.31  1.0

Y Ru Ru W