data_[K4Sr4Tl8Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4604]
_cell_length_b [18.5431]
_cell_length_c [16.1208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [KSrTl2Cl5]
_chemical_formula_sum '[K4 Sr4 Tl8 Cl20]'
_cell_volume [1333.3432]
_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
[
  K  K0  4  0.0000  0.4498  0.4432  1.0
  Sr  Sr1  4  0.0000  0.2459  0.0308  1.0
  Tl  Tl2  4  0.0000  0.0655  0.6582  1.0
  Tl  Tl3  4  0.0000  0.1417  0.2600  1.0
  Cl  Cl4  4  0.0000  0.0914  0.0664  1.0
  Cl  Cl5  4  0.0000  0.2457  0.6527  1.0
  Cl  Cl6  4  0.0000  0.2781  0.4152  1.0
  Cl  Cl7  4  0.0000  0.4002  0.0249  1.0
  Cl  Cl8  4  0.0000  0.4760  0.7726  1.0
]