data_[Cs6Tl18Cd12]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9841]
_cell_length_b [5.1866]
_cell_length_c [12.4928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTl3Cd2]
_chemical_formula_sum '[Cs6 Tl18 Cd12]'
_cell_volume [1248.2411]
_cell_formula_units_Z [6]
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  4  0.1614  0.0000  0.7073  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.0411  0.0000  0.3571  1
  Tl  Tl3  4  0.1226  0.5000  0.2018  1
  Tl  Tl4  4  0.1697  0.5000  0.9693  1
  Tl  Tl5  4  0.2056  0.0000  0.3715  1
  Tl  Tl6  2  0.0000  0.5000  0.5000  1
  Cd  Cd7  4  0.0288  0.5000  0.7759  1
  Cd  Cd8  4  0.1494  0.5000  0.4629  1
  Cd  Cd9  4  0.1996  0.0000  0.1170  1
]