data_[K1Cd2In1]
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 [Pm]
_cell_length_a [3.2514]
_cell_length_b [5.0189]
_cell_length_c [7.3806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KCd2In]
_chemical_formula_sum '[K1 Cd2 In1]'
_cell_volume [117.6026]
_cell_formula_units_Z [1]
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  1  0.2478  0.5000  0.7532  1
  Cd  Cd1  1  0.7635  0.5000  0.2493  1
  Cd  Cd2  1  0.9038  0.0000  0.0410  1
  In  In3  1  0.5849  0.0000  0.4565  1
]