data_HfRh2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17
_cell_length_b   9.17
_cell_length_c   9.17
_cell_angle_alpha   18.14
_cell_angle_beta   18.14
_cell_angle_gamma   18.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRh2W
_chemical_formula_sum   'Hf1 Rh2 W1'
_cell_volume   65.34
_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  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.34  1.0
  Rh  Rh2  1  0.0  0.0  0.71  1.0
  W  W3  1  0.0  0.0  0.53  1.0

data_HfRh2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   2.89
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   100.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfRh2W
_chemical_formula_sum   'Hf2 Rh4 W2'
_cell_volume   130.67
_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  0.0  1.0
  Rh  Rh1  2  0.0  0.0  0.29  1.0
  Rh  Rh2  2  0.0  0.0  0.66  1.0
  W  W3  2  0.0  0.0  0.47  1.0

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