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 [Cm]
_cell_length_a [10.2704]
_cell_length_b [3.6604]
_cell_length_c [7.5532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KTl2In]
_chemical_formula_sum '[K2 Tl4 In2]'
_cell_volume [281.6270]
_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  0.2499  0.5000  0.2509  1.0
  Tl  Tl1  2  0.2491  0.0000  0.7397  1.0
  Tl  Tl2  2  0.4934  0.5000  0.9508  1.0
  In  In3  2  0.0076  0.5000  0.5585  1.0
]