data_HfSn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   136.12
_cell_angle_beta   136.12
_cell_angle_gamma   63.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSn2Sb
_chemical_formula_sum   'Hf1 Sn2 Sb1'
_cell_volume   98.53
_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  0.21  0.0  0.51  1.0
  Sn  Sn2  1  0.0  0.21  0.51  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.03  1.0

data_HfSn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   5.92
_cell_angle_alpha   111.94
_cell_angle_beta   111.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSn2Sb
_chemical_formula_sum   'Hf1 Sn2 Sb1'
_cell_volume   98.53
_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  0.49  0.0  0.7  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.7  0.21  0.7  1.0
  Sb  Sb3  1  0.97  0.0  0.97  1.0

Hf Sn Sn Sb