data_[Cs1Hg1Pb2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3814]
_cell_length_b [6.4622]
_cell_length_c [8.1200]
_cell_angle_alpha [94.7207]
_cell_angle_beta [90.9298]
_cell_angle_gamma [91.1095]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsHgPb2F8]
_chemical_formula_sum '[Cs1 Hg1 Pb2 F8]'
_cell_volume [229.0479]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1
  Hg  Hg1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  2  0.4798  0.4948  0.2444  1
  F  F3  2  0.0136  0.3624  0.7594  1
  F  F4  2  0.0307  0.2108  0.2042  1
  F  F5  2  0.4831  0.7323  0.0161  1
  F  F6  2  0.4884  0.6991  0.5148  1
]