data_HfSbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   4.72
_cell_angle_alpha   108.15
_cell_angle_beta   108.15
_cell_angle_gamma   39.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSbMo2
_chemical_formula_sum   'Hf1 Sb1 Mo2'
_cell_volume   73.93
_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  0.04  0.0  0.23  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.22  0.0  0.45  1.0
  Mo  Mo2  1  0.85  0.0  0.0  1.0

data_HfSbMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.72
_cell_length_c   5.12
_cell_angle_alpha   108.15
_cell_angle_beta   109.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSbMo2
_chemical_formula_sum   'Hf1 Sb1 Mo2'
_cell_volume   73.93
_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  0.23  0.04  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.85  1.0
  Mo  Mo3  1  0.0  0.45  0.22  1.0

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