data_[La2S2O8F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.9517]
_cell_length_b [6.3457]
_cell_length_c [7.1464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [LaS(O2F)2]
_chemical_formula_sum '[La2 S2 O8 F4]'
_cell_volume [269.9026]
_cell_formula_units_Z [2]
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
[
  La  La0  2  0.0000  0.0000  0.3753  1
  S  S1  2  0.0000  0.5000  0.0080  1
  O  O2  4  0.0000  0.3136  0.1316  1
  O  O3  4  0.2002  0.5000  0.8878  1
  F  F4  4  0.2500  0.2500  0.5000  1
]