data_[Li2Tl4Cu2F12]
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
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5634]
_cell_length_b [5.6869]
_cell_length_c [9.6899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8576]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiTl2CuF6]
_chemical_formula_sum '[Li2 Tl4 Cu2 F12]'
_cell_volume [251.5680]
_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  0.5000  0.0000  0.5000  1
  Tl  Tl1  4  0.2569  0.0447  0.7517  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  F  F3  4  0.1880  0.0018  0.2526  1
  F  F4  4  0.2423  0.7144  0.0337  1
  F  F5  4  0.3243  0.2147  0.0253  1
]