data_[Cs1Cu1Pb2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  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 [4.6637]
_cell_length_b [6.4516]
_cell_length_c [8.2657]
_cell_angle_alpha [86.4471]
_cell_angle_beta [76.8152]
_cell_angle_gamma [89.8003]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsCuPb2F8]
_chemical_formula_sum '[Cs1 Cu1 Pb2 F8]'
_cell_volume [241.6625]
_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  1.0
  Cu  Cu1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.4005  0.4996  0.7413  1.0
  F  F3  2  0.0868  0.5700  0.2693  1.0
  F  F4  2  0.2002  0.8560  0.8278  1.0
  F  F5  2  0.2871  0.2008  0.9555  1.0
  F  F6  2  0.4887  0.2864  0.5176  1.0
]