data_[Hf4Zr2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6261]
_cell_length_b [4.1983]
_cell_length_c [6.7094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf2ZrPb]
_chemical_formula_sum '[Hf4 Zr2 Pb2]'
_cell_volume [186.4206]
_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  0.1225  0.2500  0.8713  1.0
  Hf  Hf1  2  0.3866  0.7500  0.1122  1.0
  Zr  Zr2  2  0.3644  0.7500  0.6244  1.0
  Pb  Pb3  2  0.1492  0.2500  0.3509  1.0
]