data_[Tl6Fe4F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.3143]
_cell_length_b [22.5336]
_cell_length_c [4.2591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tl3Fe2F7]
_chemical_formula_sum '[Tl6 Fe4 F14]'
_cell_volume [414.0555]
_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
[
  Tl  Tl0  4  0.0000  0.3186  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Fe  Fe2  4  0.0000  0.0933  0.0000  1.0
  F  F3  4  0.0000  0.0927  0.5000  1.0
  F  F4  4  0.0000  0.1822  0.0000  1.0
  F  F5  4  0.0000  0.4072  0.0000  1.0
  F  F6  2  0.0000  0.0000  0.0000  1.0
]