data_[Na6Nd2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [6.1739]
_cell_length_b [11.9197]
_cell_length_c [4.0559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Na3NdF6]
_chemical_formula_sum '[Na6 Nd2 F12]'
_cell_volume [298.4774]
_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
[
  Na  Na0  4  0.0636  0.2607  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.0000  1
  Nd  Nd2  2  0.0000  0.0000  0.0000  1
  F  F3  4  0.0592  0.7994  0.0000  1
  F  F4  4  0.1551  0.5848  0.5000  1
  F  F5  4  0.1696  0.9372  0.5000  1
]