data_[K2Cd12In12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.9541]
_cell_length_b [10.4993]
_cell_length_c [11.1978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K(CdIn)6]
_chemical_formula_sum '[K2 Cd12 In12]'
_cell_volume [700.0115]
_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  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  8  0.2500  0.2500  0.2500  1.0
  Cd  Cd2  4  0.0000  0.5000  0.2843  1.0
  In  In3  4  0.0000  0.0000  0.3560  1.0
  In  In4  4  0.0000  0.2943  0.5000  1.0
  In  In5  4  0.0000  0.3538  0.0000  1.0
]