data_[K4Ca2Tl10Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [12.0840]
_cell_length_b [12.0840]
_cell_length_c [4.4217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [K2CaTl5Cd2]
_chemical_formula_sum '[K4 Ca2 Tl10 Cd4]'
_cell_volume [645.6621]
_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
[
  K  K0  4  0.1736  0.6736  0.0000  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.0592  0.2036  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Cd  Cd4  4  0.1276  0.3724  0.0000  1.0
]