data_[K2Nb2Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.3794]
_cell_length_b [4.9005]
_cell_length_c [12.3833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KNbCd]
_chemical_formula_sum '[K2 Nb2 Cd2]'
_cell_volume [203.3516]
_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  1  0.1887  0.5000  0.5006  1
  K  K1  1  0.5150  0.0000  0.1866  1
  Nb  Nb2  1  0.3142  0.0000  0.7603  1
  Nb  Nb3  1  0.8892  0.0000  0.9195  1
  Cd  Cd4  1  0.4092  0.5000  0.9624  1
  Cd  Cd5  1  0.8108  0.5000  0.7523  1
]