data_Hf2RuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.41
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2RuW
_chemical_formula_sum   'Hf2 Ru1 W1'
_cell_volume   73.41
_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  0.31  1.0
  Hf  Hf1  1  0.52  0.21  0.52  1.0
  Ru  Ru2  1  0.0  0.0  0.62  1.0
  W  W3  1  0.52  0.21  0.2  1.0

data_Hf2RuW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.41
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2RuW
_chemical_formula_sum   'Hf2 Ru1 W1'
_cell_volume   73.41
_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  0.31  1.0
  Hf  Hf1  1  0.52  0.21  0.52  1.0
  Ru  Ru2  1  0.0  0.0  0.62  1.0
  W  W3  1  0.52  0.21  0.2  1.0

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