data_[K4Tl8In4]
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 [Pnma]
_cell_length_a [8.0804]
_cell_length_b [5.3474]
_cell_length_c [12.3397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KTl2In]
_chemical_formula_sum '[K4 Tl8 In4]'
_cell_volume [533.1849]
_cell_formula_units_Z [4]
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  0.2497  0.2500  0.3343  1
  Tl  Tl1  4  0.0486  0.7500  0.1217  1
  Tl  Tl2  4  0.2321  0.7500  0.5441  1
  In  In3  4  0.0561  0.2500  0.6261  1
]