data_[K18Y18F72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3_1]
_cell_length_a [14.2642]
_cell_length_b [14.2642]
_cell_length_c [10.3140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [144]
_chemical_formula_structural [KYF4]
_chemical_formula_sum '[K18 Y18 F72]'
_cell_volume [1817.4014]
_cell_formula_units_Z [18]
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  3  0.1027  0.3938  0.3190  1
  K  K1  3  0.1238  0.7321  0.6808  1
  K  K2  3  0.2671  0.2208  0.3505  1
  K  K3  3  0.2792  0.0612  0.6562  1
  K  K4  3  0.4369  0.3845  0.6793  1
  K  K5  3  0.4561  0.0656  0.3168  1
  Y  Y6  3  0.0924  0.5460  0.9924  1
  Y  Y7  3  0.1096  0.2406  0.6655  1
  Y  Y8  3  0.1169  0.0582  0.9945  1
  Y  Y9  3  0.2681  0.5508  0.6540  1
  Y  Y10  3  0.4270  0.2211  0.0072  1
  Y  Y11  3  0.6047  0.3872  0.3463  1
  F  F12  3  0.0454  0.1220  0.1443  1
  F  F13  3  0.0603  0.0002  0.3309  1
  F  F14  3  0.0640  0.1962  0.4489  1
  F  F15  3  0.0690  0.8775  0.5413  1
  F  F16  3  0.0926  0.4028  0.0655  1
  F  F17  3  0.1184  0.7051  0.9384  1
  F  F18  3  0.1286  0.3934  0.5711  1
  F  F19  3  0.1329  0.5416  0.7760  1
  F  F20  3  0.1470  0.6088  0.2007  1
  F  F21  3  0.1527  0.7543  0.4239  1
  F  F22  3  0.2121  0.5939  0.4668  1
  F  F23  3  0.2470  0.2228  0.6076  1
  F  F24  3  0.2664  0.1923  0.0982  1
  F  F25  3  0.2707  0.0388  0.4013  1
  F  F26  3  0.2712  0.6034  0.9891  1
  F  F27  3  0.2768  0.0843  0.9112  1
  F  F28  3  0.4243  0.3629  0.9336  1
  F  F29  3  0.4543  0.0884  0.0598  1
  F  F30  3  0.4670  0.4101  0.4253  1
  F  F31  3  0.4676  0.2648  0.2232  1
  F  F32  3  0.4794  0.2112  0.7982  1
  F  F33  3  0.4818  0.0687  0.5722  1
  F  F34  3  0.5480  0.2917  0.5351  1
  F  F35  3  0.6061  0.3425  0.0090  1
]