data_Hf2SnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.66
_cell_angle_alpha   97.77
_cell_angle_beta   97.77
_cell_angle_gamma   36.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2SnBi
_chemical_formula_sum   'Hf2 Sn1 Bi1'
_cell_volume   94.56
_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  0.4  0.0  0.33  1.0
  Hf  Hf2  1  0.95  0.0  0.27  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.68  0.0  0.8  1.0

data_Hf2SnBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.34
_cell_length_c   5.66
_cell_angle_alpha   97.77
_cell_angle_beta   90.0
_cell_angle_gamma   108.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2SnBi
_chemical_formula_sum   'Hf2 Sn1 Bi1'
_cell_volume   94.56
_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  0.05  0.73  1.0
  Hf  Hf1  1  0.0  0.6  0.67  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.32  0.2  1.0

Hf Hf Sn Bi
Hf Hf Sn Bi 0 2 o o o 0 1 - o o 0 1 o o o 0 3 o o o 1 2 + o o 2 3 - o - 