data_[K1Cd2B2O6]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4465]
_cell_length_b [5.6392]
_cell_length_c [6.3245]
_cell_angle_alpha [72.0082]
_cell_angle_beta [67.6632]
_cell_angle_gamma [62.5087]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KCd2(BO3)2]
_chemical_formula_sum '[K1 Cd2 B2 O6]'
_cell_volume [157.2624]
_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  0.5000  0.5000  0.5000  1.0
  Cd  Cd1  2  0.2265  0.1610  0.2292  1.0
  B  B2  2  0.0958  0.1930  0.7567  1.0
  O  O3  2  0.1453  0.9937  0.6411  1.0
  O  O4  2  0.1454  0.5744  0.2374  1.0
  O  O5  2  0.3090  0.1463  0.8516  1.0
]