data_[K2Tl4In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9818]
_cell_length_b [5.0208]
_cell_length_c [8.4189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTl2In]
_chemical_formula_sum '[K2 Tl4 In2]'
_cell_volume [271.4066]
_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  0.2066  0.7500  0.9101  1
  Tl  Tl1  2  0.1360  0.7500  0.3789  1
  Tl  Tl2  2  0.3778  0.2500  0.2572  1
  In  In3  2  0.3277  0.2500  0.6267  1
]