data_[K6Cd8In2]
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 [Imm2]
_cell_length_a [6.2645]
_cell_length_b [8.2063]
_cell_length_c [11.3144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [K3Cd4In]
_chemical_formula_sum '[K6 Cd8 In2]'
_cell_volume [581.6483]
_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  0.2425  0.5655  1.0
  K  K1  2  0.0000  0.0000  0.9060  1.0
  Cd  Cd2  4  0.0000  0.3074  0.2437  1.0
  Cd  Cd3  4  0.2468  0.0000  0.3014  1.0
  In  In4  2  0.0000  0.5000  0.0240  1.0
]