data_[Sr20Pb12F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.7825]
_cell_length_b [8.7825]
_cell_length_c [16.1300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Sr5Pb3F]
_chemical_formula_sum '[Sr20 Pb12 F4]'
_cell_volume [1244.1485]
_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
[
  Sr  Sr0  16  0.1596  0.3404  0.3481  1.0
  Sr  Sr1  4  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  8  0.1272  0.3728  0.0000  1.0
  Pb  Pb3  4  0.0000  0.0000  0.2500  1.0
  F  F4  4  0.0000  0.5000  0.2500  1.0
]