data_Hf2SbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   4.53
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   107.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2SbMo
_chemical_formula_sum   'Hf2 Sb1 Mo1'
_cell_volume   82.75
_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  0.53  0.0  0.96  1.0
  Hf  Hf1  1  0.99  0.27  0.76  1.0
  Sb  Sb3  1  0.25  0.27  0.12  1.0
  Mo  Mo2  1  0.27  0.0  0.35  1.0

data_Hf2SbMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.53
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   107.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2SbMo
_chemical_formula_sum   'Hf2 Sb1 Mo1'
_cell_volume   82.75
_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  0.53  0.0  0.96  1.0
  Hf  Hf1  1  0.99  0.27  0.76  1.0
  Sb  Sb2  1  0.25  0.27  0.12  1.0
  Mo  Mo3  1  0.27  0.0  0.35  1.0

Hf Hf Sb Mo
Hf Hf Sb Mo 0 1 - o o 0 2 o o + 1 2 + o + 2 3 o o o 