data_HfBiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   135.52
_cell_angle_beta   135.52
_cell_angle_gamma   64.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBiSb2
_chemical_formula_sum   'Hf1 Bi1 Sb2'
_cell_volume   103.19
_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  Hf1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.05  1.0
  Sb  Sb2  1  0.26  0.0  0.52  1.0
  Sb  Sb3  1  0.0  0.26  0.52  1.0

data_HfBiSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   122.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfBiSb2
_chemical_formula_sum   'Hf2 Bi2 Sb4'
_cell_volume   206.38
_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
  Bi  Bi1  2  0.45  0.5  0.95  1.0
  Sb  Sb2  4  0.11  0.37  0.74  1.0

Hf Bi Sb Sb