data_[Cd8P8Pb8F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [9.8337]
_cell_length_b [18.4652]
_cell_length_c [4.1033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [CdPPbF]
_chemical_formula_sum '[Cd8 P8 Pb8 F8]'
_cell_volume [745.0747]
_cell_formula_units_Z [8]
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
[
  Cd  Cd0  4  0.0637  0.0993  0.0000  1
  Cd  Cd1  4  0.1338  0.5708  0.0000  1
  P  P2  4  0.1880  0.9711  0.0000  1
  P  P3  4  0.2405  0.7004  0.0000  1
  Pb  Pb4  4  0.0572  0.7192  0.5000  1
  Pb  Pb5  4  0.2323  0.3862  0.5000  1
  F  F6  4  0.0157  0.5747  0.5000  1
  F  F7  4  0.0216  0.8557  0.5000  1
]