data_[Tl4O4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4438]
_cell_length_b [5.7281]
_cell_length_c [5.7572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7079]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlOF]
_chemical_formula_sum '[Tl4 O4 F4]'
_cell_volume [178.2949]
_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
[
  Tl  Tl0  4  0.1919  0.0259  0.7780  1.0
  O  O1  4  0.0330  0.7452  0.0113  1.0
  F  F2  4  0.4346  0.1341  0.1951  1.0
]