data_[Cs8Tl4Cu4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Cmcm]
_cell_length_a [4.6011]
_cell_length_b [18.3201]
_cell_length_c [16.6946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cs2TlCuCl4]
_chemical_formula_sum '[Cs8 Tl4 Cu4 Cl16]'
_cell_volume [1407.2178]
_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
[
  Cs  Cs0  8  0.0000  0.3757  0.5466  1.0
  Tl  Tl1  4  0.0000  0.1807  0.7500  1.0
  Cu  Cu2  4  0.0000  0.2125  0.2500  1.0
  Cl  Cl3  8  0.0000  0.2616  0.1253  1.0
  Cl  Cl4  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl5  4  0.0000  0.3508  0.7500  1.0
]