data_[Li2Tl2Co2F12]
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
  Co  1.8800  1.3500  0.7683
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.9026]
_cell_length_b [4.9026]
_cell_length_c [9.8398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [LiTlCoF6]
_chemical_formula_sum '[Li2 Tl2 Co2 F12]'
_cell_volume [236.5026]
_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
[
  Li  Li0  2  0.0000  0.0000  0.9987  1.0
  Tl  Tl1  2  0.0000  0.0000  0.3325  1.0
  Co  Co2  2  0.0000  0.0000  0.6665  1.0
  F  F3  4  0.1829  0.8171  0.8319  1.0
  F  F4  4  0.1974  0.8026  0.5093  1.0
  F  F5  4  0.2045  0.7955  0.1600  1.0
]