data_Hf3Pb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.33
_cell_angle_alpha   101.96
_cell_angle_beta   101.96
_cell_angle_gamma   53.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Pb5
_chemical_formula_sum   'Hf3 Pb5'
_cell_volume   206.19
_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  0.45  0.4  0.76  1.0
  Hf  Hf1  1  0.63  0.4  0.4  1.0
  Hf  Hf2  1  0.78  0.53  0.0  1.0
  Pb  Pb3  1  0.15  0.55  0.99  1.0
  Pb  Pb4  1  0.94  0.55  0.17  1.0
  Pb  Pb5  1  0.28  0.54  0.46  1.0
  Pb  Pb6  1  0.81  0.54  0.7  1.0
  Pb  Pb7  1  0.04  0.64  0.08  1.0

data_Hf3Pb5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.8
_cell_length_b   6.33
_cell_length_c   6.46
_cell_angle_alpha   101.96
_cell_angle_beta   116.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Pb5
_chemical_formula_sum   'Hf3 Pb5'
_cell_volume   206.19
_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  0.4  0.4  0.03  1.0
  Hf  Hf1  1  0.4  0.76  0.85  1.0
  Hf  Hf2  1  0.53  0.0  0.3  1.0
  Pb  Pb3  1  0.54  0.46  0.81  1.0
  Pb  Pb4  1  0.54  0.7  0.35  1.0
  Pb  Pb5  1  0.55  0.17  0.48  1.0
  Pb  Pb6  1  0.55  0.99  0.7  1.0
  Pb  Pb7  1  0.64  0.08  0.69  1.0

Hf Hf Hf Pb Pb Pb Pb Pb