data_[Hf18Os3Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Os  2.2000  1.3000  0.6730
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.8175]
_cell_length_b [9.8175]
_cell_length_c [6.4767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Hf6OsPb]
_chemical_formula_sum '[Hf18 Os3 Pb3]'
_cell_volume [540.6142]
_cell_formula_units_Z [3]
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  18  0.0242  0.5121  0.2694  1
  Os  Os1  3  0.0000  0.0000  0.5000  1
  Pb  Pb2  3  0.0000  0.0000  0.0000  1
]