data_[Li4Tl8Co4Cl20]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9298]
_cell_length_b [18.5591]
_cell_length_c [13.1460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTl2CoCl5]
_chemical_formula_sum '[Li4 Tl8 Co4 Cl20]'
_cell_volume [958.7949]
_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  0.4279  0.4445  1.0
  Tl  Tl1  4  0.0000  0.1152  0.6852  1.0
  Tl  Tl2  4  0.0000  0.1273  0.3047  1.0
  Co  Co3  4  0.0000  0.2095  0.0199  1.0
  Cl  Cl4  4  0.0000  0.0789  0.0417  1.0
  Cl  Cl5  4  0.0000  0.2839  0.6391  1.0
  Cl  Cl6  4  0.0000  0.3036  0.3923  1.0
  Cl  Cl7  4  0.0000  0.3364  0.0003  1.0
  Cl  Cl8  4  0.0000  0.4957  0.2962  1.0
]