data_[K4Nd4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.1348]
_cell_length_b [3.6905]
_cell_length_c [15.0883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KNdF4]
_chemical_formula_sum '[K4 Nd4 F16]'
_cell_volume [341.6096]
_cell_formula_units_Z [4]
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  0.2247  0.2500  0.7018  1
  Nd  Nd1  4  0.2484  0.7500  0.9382  1
  F  F2  4  0.0064  0.2500  0.5605  1
  F  F3  4  0.0864  0.2500  0.3021  1
  F  F4  4  0.1011  0.2500  0.8637  1
  F  F5  4  0.1404  0.2500  0.0404  1
]