data_Hf5B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   144.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5B
_chemical_formula_sum   'Hf5 B1'
_cell_volume   115.35
_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  0.03  0.68  0.21  1.0
  Hf  Hf2  1  0.03  0.07  0.0  1.0
  Hf  Hf3  1  0.03  0.0  0.21  1.0
  Hf  Hf4  1  0.03  0.93  0.0  1.0
  Hf  Hf5  1  0.03  0.32  0.21  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Hf5B
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.42
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   107.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5B
_chemical_formula_sum   'Hf5 B1'
_cell_volume   115.35
_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  0.79  0.97  1.0
  Hf  Hf1  1  0.07  0.0  0.04  1.0
  Hf  Hf2  1  0.32  0.79  0.29  1.0
  Hf  Hf3  1  0.68  0.79  0.65  1.0
  Hf  Hf4  1  0.93  0.0  0.9  1.0
  B  B5  1  0.0  0.0  0.0  1.0

Hf Hf Hf Hf Hf B