data_[K12Tl2In2]
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 [Amm2]
_cell_length_a [4.8648]
_cell_length_b [13.1539]
_cell_length_c [14.4050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [K6TlIn]
_chemical_formula_sum '[K12 Tl2 In2]'
_cell_volume [921.7870]
_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  0.0000  0.1705  0.3758  1
  K  K1  4  0.5000  0.2251  0.1247  1
  K  K2  2  0.0000  0.0000  0.6626  1
  K  K3  2  0.5000  0.0000  0.9309  1
  Tl  Tl4  2  0.5000  0.0000  0.2666  1
  In  In5  2  0.0000  0.0000  0.1388  1
]