data_[K2Nd1F6]
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 [P2/m]
_cell_length_a [6.6451]
_cell_length_b [3.9531]
_cell_length_c [6.8725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2NdF6]
_chemical_formula_sum '[K2 Nd1 F6]'
_cell_volume [163.2091]
_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  2  0.3329  0.5000  0.6496  1.0
  Nd  Nd1  1  0.0000  0.0000  0.0000  1.0
  F  F2  2  0.0901  0.0000  0.3929  1.0
  F  F3  2  0.1562  0.5000  0.9248  1.0
  F  F4  2  0.3731  0.0000  0.2485  1.0
]