data_[Li4Tl8Co4F20]
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 [Cmc2_1]
_cell_length_a [3.3493]
_cell_length_b [14.8413]
_cell_length_c [12.1893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTl2CoF5]
_chemical_formula_sum '[Li4 Tl8 Co4 F20]'
_cell_volume [605.9043]
_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  0.4421  0.4402  1.0
  Tl  Tl1  4  0.0000  0.0932  0.6661  1.0
  Tl  Tl2  4  0.0000  0.1418  0.3155  1.0
  Co  Co3  4  0.0000  0.2039  0.0234  1.0
  F  F4  4  0.0000  0.0628  0.0210  1.0
  F  F5  4  0.0000  0.2876  0.6320  1.0
  F  F6  4  0.0000  0.3148  0.4161  1.0
  F  F7  4  0.0000  0.3371  0.0023  1.0
  F  F8  4  0.0000  0.4997  0.3075  1.0
]