data_Hf2SbRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2SbRu
_chemical_formula_sum   'Hf2 Sb1 Ru1'
_cell_volume   79.39
_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  0.52  1.0
  Hf  Hf1  1  0.27  0.0  0.38  1.0
  Sb  Sb3  1  0.27  0.0  0.13  1.0
  Ru  Ru2  1  0.0  0.0  0.77  1.0

data_Hf2SbRu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Hf2SbRu
_chemical_formula_sum   'Hf2 Sb1 Ru1'
_cell_volume   79.41
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.52  1.0
  Hf  Hf1  1  0.27  0.0  0.38  1.0
  Sb  Sb2  1  0.27  0.0  0.13  1.0
  Ru  Ru3  1  0.0  0.0  0.77  1.0

Hf Hf Sb Ru
Hf Hf Sb Ru 0 1 o o o 0 3 o o o 1 2 o o o 