data_[Hf2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2360]
_cell_length_b [3.2831]
_cell_length_c [10.0465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfPb2]
_chemical_formula_sum '[Hf2 Pb4]'
_cell_volume [168.0428]
_cell_formula_units_Z [2]
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  2  0.0930  0.7500  0.1294  1.0
  Pb  Pb1  2  0.2155  0.2500  0.4239  1.0
  Pb  Pb2  2  0.3915  0.7500  0.8417  1.0
]