data_[Sr4Tl4Sn4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4540]
_cell_length_b [11.8383]
_cell_length_c [10.1962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrTlSnCl5]
_chemical_formula_sum '[Sr4 Tl4 Sn4 Cl20]'
_cell_volume [1161.0828]
_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  0.2500  0.2500  0.5000  1.0
  Tl  Tl1  4  0.0000  0.4413  0.7500  1.0
  Sn  Sn2  4  0.0000  0.0075  0.7500  1.0
  Cl  Cl3  8  0.0302  0.1632  0.5859  1.0
  Cl  Cl4  8  0.2099  0.4789  0.5820  1.0
  Cl  Cl5  4  0.0000  0.2964  0.2500  1.0
]