data_[Li4Tl8Ag4Cl20]
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
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0583]
_cell_length_b [17.5025]
_cell_length_c [13.9142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTl2AgCl5]
_chemical_formula_sum '[Li4 Tl8 Ag4 Cl20]'
_cell_volume [988.3411]
_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  0.1889  0.0358  1.0
  Tl  Tl1  4  0.0000  0.1035  0.6815  1.0
  Tl  Tl2  4  0.0000  0.1605  0.3040  1.0
  Ag  Ag3  4  0.0000  0.4756  0.4447  1.0
  Cl  Cl4  4  0.0000  0.0547  0.0596  1.0
  Cl  Cl5  4  0.0000  0.2778  0.6365  1.0
  Cl  Cl6  4  0.0000  0.3373  0.3913  1.0
  Cl  Cl7  4  0.0000  0.3863  0.9962  1.0
  Cl  Cl8  4  0.0000  0.4776  0.7743  1.0
]