data_[K4Tl2In2]
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 [Cm]
_cell_length_a [14.0413]
_cell_length_b [3.8658]
_cell_length_c [6.3565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K2TlIn]
_chemical_formula_sum '[K4 Tl2 In2]'
_cell_volume [314.4693]
_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  0.2776  0.5000  0.2821  1.0
  K  K1  2  0.4735  0.5000  0.9691  1.0
  Tl  Tl2  2  0.0313  0.5000  0.5195  1.0
  In  In3  2  0.2176  0.0000  0.7293  1.0
]