data_[K6Cd9In51]
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 [R-3m]
_cell_length_a [11.6754]
_cell_length_b [11.6754]
_cell_length_c [17.1382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2Cd3In17]
_chemical_formula_sum '[K6 Cd9 In51]'
_cell_volume [2023.1882]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3607  1
  Cd  Cd1  9  0.0000  0.5000  0.0000  1
  In  In2  18  0.0000  0.2549  0.0000  1
  In  In3  18  0.0105  0.5052  0.1725  1
  In  In4  9  0.0000  0.5000  0.5000  1
  In  In5  6  0.0000  0.0000  0.1203  1
]