data_[Cs3K12Tl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.7448]
_cell_length_b [6.7448]
_cell_length_c [25.6448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Cs3K12Tl]
_chemical_formula_sum '[Cs3 K12 Tl1]'
_cell_volume [1166.6430]
_cell_formula_units_Z [1]
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  0.0000  0.2224  1
  Cs  Cs1  1  0.0000  0.0000  0.5000  1
  K  K2  4  0.0000  0.5000  0.0909  1
  K  K3  4  0.0000  0.5000  0.3626  1
  K  K4  2  0.5000  0.5000  0.2292  1
  K  K5  1  0.5000  0.5000  0.0000  1
  K  K6  1  0.5000  0.5000  0.5000  1
  Tl  Tl7  1  0.0000  0.0000  0.0000  1
]