data_[Li4Tl8Cd4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5685]
_cell_length_b [15.0304]
_cell_length_c [12.1750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTl2CdF5]
_chemical_formula_sum '[Li4 Tl8 Cd4 F20]'
_cell_volume [653.0219]
_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
[
  Li  Li0  4  0.0000  0.4521  0.4339  1.0
  Tl  Tl1  4  0.0000  0.0891  0.6660  1.0
  Tl  Tl2  4  0.0000  0.1396  0.3255  1.0
  Cd  Cd3  4  0.0000  0.1993  0.0298  1.0
  F  F4  4  0.0000  0.0462  0.0081  1.0
  F  F5  4  0.0000  0.2906  0.6463  1.0
  F  F6  4  0.0000  0.3238  0.4126  1.0
  F  F7  4  0.0000  0.3471  0.0045  1.0
  F  F8  4  0.0000  0.4936  0.7973  1.0
]