data_[Ca8Si12Pb12Cl4O42]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [10.0704]
_cell_length_b [10.0704]
_cell_length_c [13.2470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Ca4Si6Pb6Cl2O21]
_chemical_formula_sum '[Ca8 Si12 Pb12 Cl4 O42]'
_cell_volume [1163.4332]
_cell_formula_units_Z [2]
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  0.3333  0.6667  0.5055  1
  Ca  Ca1  2  0.3333  0.6667  0.2500  1
  Ca  Ca2  2  0.3333  0.6667  0.7500  1
  Si  Si3  12  0.0270  0.6063  0.1358  1
  Pb  Pb4  12  0.0038  0.2624  0.1113  1
  Cl  Cl5  2  0.0000  0.0000  0.0000  1
  Cl  Cl6  2  0.0000  0.0000  0.2500  1
  O  O7  12  0.0770  0.7478  0.0547  1
  O  O8  12  0.1412  0.5346  0.1217  1
  O  O9  12  0.1503  0.5230  0.6283  1
  O  O10  6  0.0736  0.6919  0.2500  1
]