data_[Cs2Ca2Tl4Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.3175]
_cell_length_b [7.7527]
_cell_length_c [15.4240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CsCaTl2Cl5]
_chemical_formula_sum '[Cs2 Ca2 Tl4 Cl10]'
_cell_volume [635.8521]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1.0
  Ca  Ca1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  4  0.0000  0.0000  0.2119  1.0
  Cl  Cl3  8  0.0000  0.2558  0.3710  1.0
  Cl  Cl4  2  0.0000  0.0000  0.0000  1.0
]