data_[Ca9Zn24Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5624]
_cell_length_b [5.5624]
_cell_length_c [27.3871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ca3Zn8Pb]
_chemical_formula_sum '[Ca9 Zn24 Pb3]'
_cell_volume [733.8380]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.0030  1.0
  Ca  Ca1  3  0.0000  0.0000  0.4978  1.0
  Ca  Ca2  3  0.0000  0.0000  0.6246  1.0
  Zn  Zn3  9  0.0040  0.5020  0.5637  1.0
  Zn  Zn4  9  0.1670  0.3340  0.3936  1.0
  Zn  Zn5  3  0.0000  0.0000  0.3134  1.0
  Zn  Zn6  3  0.0000  0.0000  0.8122  1.0
  Pb  Pb7  3  0.0000  0.0000  0.1270  1.0
]