data_[Na2Nd1Al1F8]
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
  Al  1.6100  1.2500  0.6750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.8246]
_cell_length_b [6.7791]
_cell_length_c [5.2455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2NdAlF8]
_chemical_formula_sum '[Na2 Nd1 Al1 F8]'
_cell_volume [171.5582]
_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
[
  Na  Na0  2  0.5000  0.2241  0.5000  1.0
  Nd  Nd1  1  0.0000  0.5000  0.0000  1.0
  Al  Al2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1668  0.2057  0.8165  1.0
  F  F4  2  0.2742  0.0000  0.2314  1.0
  F  F5  2  0.3547  0.5000  0.2770  1.0
]