data_[Hf16Mn4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2402]
_cell_length_b [12.2560]
_cell_length_c [5.5789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4MnPb]
_chemical_formula_sum '[Hf16 Mn4 Pb4]'
_cell_volume [522.8908]
_cell_formula_units_Z [4]
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  8  0.1099  0.1688  0.5658  1.0
  Hf  Hf1  8  0.2323  0.4218  0.8579  1.0
  Mn  Mn2  4  0.0000  0.0001  0.7500  1.0
  Pb  Pb3  4  0.0000  0.3773  0.2500  1.0
]