data_HfSn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.65
_cell_angle_alpha   100.16
_cell_angle_beta   100.16
_cell_angle_gamma   31.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSn2Bi
_chemical_formula_sum   'Hf1 Sn2 Bi1'
_cell_volume   103.65
_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  0.08  0.0  0.23  1.0
  Sn  Sn2  1  0.24  0.0  0.46  1.0
  Sn  Sn3  1  0.29  0.0  0.36  1.0
  Bi  Bi0  1  0.38  0.0  0.84  1.0

data_HfSn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.65
_cell_length_c   5.95
_cell_angle_alpha   100.16
_cell_angle_beta   105.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSn2Bi
_chemical_formula_sum   'Hf1 Sn2 Bi1'
_cell_volume   103.65
_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  0.08  1.0
  Sn  Sn1  1  0.0  0.36  0.29  1.0
  Sn  Sn2  1  0.0  0.46  0.24  1.0
  Bi  Bi3  1  0.0  0.84  0.38  1.0

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