data_Hf2SbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   139.37
_cell_angle_beta   127.79
_cell_angle_gamma   68.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2SbMo
_chemical_formula_sum   'Hf2 Sb1 Mo1'
_cell_volume   79.77
_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  0.88  0.0  0.08  1.0
  Hf  Hf1  1  0.0  0.38  0.4  1.0
  Sb  Sb3  1  0.0  0.0  0.47  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Hf2SbMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.75
_cell_length_c   5.4
_cell_angle_alpha   116.1
_cell_angle_beta   110.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2SbMo
_chemical_formula_sum   'Hf2 Sb1 Mo1'
_cell_volume   79.77
_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  0.08  0.2  1.0
  Hf  Hf1  1  0.62  0.02  0.02  1.0
  Sb  Sb2  1  0.0  0.47  0.47  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

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