data_[Ba6Zn9Pb3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4491]
_cell_length_b [7.4491]
_cell_length_c [17.3786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Zn3PbF12]
_chemical_formula_sum '[Ba6 Zn9 Pb3 F36]'
_cell_volume [835.1273]
_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
[
  Ba  Ba0  6  0.0000  0.0000  0.3867  1
  Zn  Zn1  9  0.0000  0.5000  0.5000  1
  Pb  Pb2  3  0.0000  0.0000  0.0000  1
  F  F3  18  0.0518  0.5259  0.3826  1
  F  F4  18  0.0574  0.5287  0.8056  1
]