data_[Hf4Co2Pb5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6157]
_cell_length_b [3.3272]
_cell_length_c [10.3292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Hf4Co2Pb5]
_chemical_formula_sum '[Hf4 Co2 Pb5]'
_cell_volume [258.4846]
_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  2  0.1753  0.5000  0.4364  1.0
  Hf  Hf1  2  0.2168  0.5000  0.7934  1.0
  Co  Co2  2  0.0925  0.0000  0.6163  1.0
  Pb  Pb3  2  0.1186  0.0000  0.1437  1.0
  Pb  Pb4  2  0.4904  0.0000  0.6602  1.0
  Pb  Pb5  1  0.5000  0.0000  0.0000  1.0
]