data_[Pb4Se4O16F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3898]
_cell_length_b [7.2814]
_cell_length_c [7.0246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PbSeO4F]
_chemical_formula_sum '[Pb4 Se4 O16 F4]'
_cell_volume [460.0058]
_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
[
  Pb  Pb0  4  0.2041  0.0000  0.1370  1.0
  Se  Se1  4  0.1508  0.5000  0.2794  1.0
  O  O2  8  0.1852  0.3252  0.1357  1.0
  O  O3  4  0.0218  0.5000  0.7051  1.0
  O  O4  4  0.2256  0.0000  0.4969  1.0
  F  F5  4  0.0299  0.0000  0.8324  1.0
]