data_[Cs4K2Nd2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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_1/c]
_cell_length_a [6.8949]
_cell_length_b [6.9209]
_cell_length_c [11.9374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2KNdF6]
_chemical_formula_sum '[Cs4 K2 Nd2 F12]'
_cell_volume [464.8069]
_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
[
  Cs  Cs0  4  0.2564  0.5269  0.7503  1.0
  K  K1  2  0.5000  0.0000  0.0000  1.0
  Nd  Nd2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.1620  0.5215  0.2303  1.0
  F  F4  4  0.2363  0.2378  0.0392  1.0
  F  F5  4  0.2949  0.7000  0.0334  1.0
]