data_HfRuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41
_cell_length_b   9.41
_cell_length_c   9.41
_cell_angle_alpha   17.78
_cell_angle_beta   17.78
_cell_angle_gamma   17.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRuW2
_chemical_formula_sum   'Hf1 Ru1 W2'
_cell_volume   67.87
_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
  Hf  Hf0  1  0.0  0.0  0.89  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.0  0.66  1.0
  W  W3  1  0.0  0.0  0.12  1.0

data_HfRuW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   2.91
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   100.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfRuW2
_chemical_formula_sum   'Hf2 Ru2 W4'
_cell_volume   135.74
_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
  Hf  Hf0  2  0.0  0.0  0.11  1.0
  Ru  Ru1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.0  0.0  0.34  1.0
  W  W3  2  0.0  0.0  0.88  1.0

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