data_Hf2BiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.97
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BiB
_chemical_formula_sum   'Hf2 Bi1 B1'
_cell_volume   77.89
_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  Hf2  1  0.97  0.99  0.0  1.0
  Hf  Hf3  1  0.0  0.99  0.48  1.0
  Bi  Bi1  1  0.97  0.0  0.48  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Hf2BiB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.97
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BiB
_chemical_formula_sum   'Hf2 Bi1 B1'
_cell_volume   77.89
_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  0.99  0.48  1.0
  Hf  Hf1  1  0.97  0.99  -0.0  1.0
  Bi  Bi2  1  0.97  0.0  0.48  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Hf Hf Bi B