data_[Sr4Tl8Cu4Cl20]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2548]
_cell_length_b [18.5902]
_cell_length_c [13.7641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SrTl2CuCl5]
_chemical_formula_sum '[Sr4 Tl8 Cu4 Cl20]'
_cell_volume [1088.6965]
_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  0.1928  0.0303  1.0
  Tl  Tl1  4  0.0000  0.1057  0.6812  1.0
  Tl  Tl2  4  0.0000  0.1224  0.3419  1.0
  Cu  Cu3  4  0.0000  0.4473  0.4221  1.0
  Cl  Cl4  4  0.0000  0.0361  0.0016  1.0
  Cl  Cl5  4  0.0000  0.2973  0.6729  1.0
  Cl  Cl6  4  0.0000  0.3170  0.3850  1.0
  Cl  Cl7  4  0.0000  0.3479  0.0155  1.0
  Cl  Cl8  4  0.0000  0.4959  0.7735  1.0
]