data_[K2Tb2Tl4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4835]
_cell_length_b [8.1395]
_cell_length_c [13.0108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KTb(TlCl3)2]
_chemical_formula_sum '[K2 Tb2 Tl4 Cl12]'
_cell_volume [663.3721]
_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  2  0.5000  0.0000  0.0000  1
  Tb  Tb1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  4  0.2881  0.0669  0.2655  1
  Cl  Cl3  4  0.1081  0.0579  0.7292  1
  Cl  Cl4  4  0.2417  0.7290  0.5747  1
  Cl  Cl5  4  0.3373  0.1720  0.5427  1
]