data_HfSiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   140.62
_cell_angle_beta   125.24
_cell_angle_gamma   69.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiSb2
_chemical_formula_sum   'Hf1 Si1 Sb2'
_cell_volume   85.12
_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  0.53  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.86  0.0  0.98  1.0
  Sb  Sb2  1  0.0  0.53  0.54  1.0

data_HfSiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   5.07
_cell_length_c   5.51
_cell_angle_alpha   117.38
_cell_angle_beta   109.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiSb2
_chemical_formula_sum   'Hf1 Si1 Sb2'
_cell_volume   85.12
_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  0.53  0.53  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.98  0.13  1.0
  Sb  Sb3  1  0.47  0.01  0.01  1.0

Hf Si Sb Sb