data_[K10Tl12In2]
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 [C2/m]
_cell_length_a [6.6785]
_cell_length_b [11.7386]
_cell_length_c [11.5035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K5Tl6In]
_chemical_formula_sum '[K10 Tl12 In2]'
_cell_volume [881.9719]
_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  0.1736  0.5000  1
  K  K1  4  0.0000  0.3340  0.0000  1
  K  K2  2  0.0000  0.5000  0.5000  1
  Tl  Tl3  8  0.2240  0.8532  0.2367  1
  Tl  Tl4  4  0.2188  0.0000  0.7595  1
  In  In5  2  0.0000  0.0000  0.0000  1
]