data_[Sr4Li4Tl8Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  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 [4.3363]
_cell_length_b [18.2873]
_cell_length_c [13.8961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SrLiTl2Cl5]
_chemical_formula_sum '[Sr4 Li4 Tl8 Cl20]'
_cell_volume [1101.9490]
_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
[
  Sr  Sr0  4  0.0000  0.2002  0.0332  1.0
  Li  Li1  4  0.0000  0.4504  0.4277  1.0
  Tl  Tl2  4  0.0000  0.0923  0.6687  1.0
  Tl  Tl3  4  0.0000  0.1273  0.3340  1.0
  Cl  Cl4  4  0.0000  0.0403  0.0102  1.0
  Cl  Cl5  4  0.0000  0.2889  0.6711  1.0
  Cl  Cl6  4  0.0000  0.3180  0.3951  1.0
  Cl  Cl7  4  0.0000  0.3561  0.0069  1.0
  Cl  Cl8  4  0.0000  0.4932  0.7770  1.0
]