data_Hf3Pb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Pb5
_chemical_formula_sum   'Hf3 Pb5'
_cell_volume   204.05
_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  0.61  0.82  0.57  1.0
  Hf  Hf1  1  0.61  0.18  0.57  1.0
  Hf  Hf2  1  0.0  0.0  0.8  1.0
  Pb  Pb3  1  0.22  0.94  0.8  1.0
  Pb  Pb4  1  0.22  0.06  0.8  1.0
  Pb  Pb5  1  0.22  0.0  0.71  1.0
  Pb  Pb6  1  0.57  0.0  0.87  1.0
  Pb  Pb7  1  0.87  0.0  0.87  1.0

data_Hf3Pb5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.62
_cell_length_b   6.44
_cell_length_c   6.49
_cell_angle_alpha   119.76
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Pb5
_chemical_formula_sum   'Hf3 Pb5'
_cell_volume   204.05
_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  0.57  0.18  0.79  1.0
  Hf  Hf1  1  0.57  0.82  0.43  1.0
  Hf  Hf2  1  0.8  0.0  0.0  1.0
  Pb  Pb3  1  0.71  0.0  0.22  1.0
  Pb  Pb4  1  0.8  0.06  0.28  1.0
  Pb  Pb5  1  0.8  0.94  0.16  1.0
  Pb  Pb6  1  0.87  0.0  0.57  1.0
  Pb  Pb7  1  0.87  0.0  0.87  1.0

Hf Hf Hf Pb Pb Pb Pb Pb