data_[Ca8Zn4Pb8]
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 [C2/m]
_cell_length_a [11.7448]
_cell_length_b [4.7931]
_cell_length_c [11.4187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2ZnPb2]
_chemical_formula_sum '[Ca8 Zn4 Pb8]'
_cell_volume [575.7503]
_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
[
  Ca  Ca0  4  0.0040  0.5000  0.3306  1.0
  Ca  Ca1  4  0.1774  0.5000  0.1078  1.0
  Zn  Zn2  4  0.2081  0.0000  0.3291  1.0
  Pb  Pb3  4  0.0365  0.0000  0.8842  1.0
  Pb  Pb4  4  0.1558  0.0000  0.5607  1.0
]