data_HfBi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81
_cell_length_b   7.81
_cell_length_c   7.81
_cell_angle_alpha   155.73
_cell_angle_beta   139.54
_cell_angle_gamma   47.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBi2Cl
_chemical_formula_sum   'Hf1 Bi2 Cl1'
_cell_volume   126.77
_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  Hf3  1  0.64  0.0  0.96  1.0
  Bi  Bi0  1  0.0  0.0  0.32  1.0
  Bi  Bi1  1  0.0  0.7  0.1  1.0
  Cl  Cl2  1  0.0  0.0  0.9  1.0

data_HfBi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   5.4
_cell_length_c   7.81
_cell_angle_alpha   110.23
_cell_angle_beta   102.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBi2Cl
_chemical_formula_sum   'Hf1 Bi2 Cl1'
_cell_volume   126.77
_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  0.96  0.32  1.0
  Bi  Bi1  1  0.0  0.32  0.32  1.0
  Bi  Bi2  1  0.3  0.4  0.4  1.0
  Cl  Cl3  1  0.0  0.9  0.9  1.0

Hf Bi Bi Cl