data_[Na1Nd1Ag2Cl6]
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
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.0079]
_cell_length_b [7.0963]
_cell_length_c [7.6307]
_cell_angle_alpha [90.2462]
_cell_angle_beta [116.6375]
_cell_angle_gamma [119.5277]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaNd(AgCl3)2]
_chemical_formula_sum '[Na1 Nd1 Ag2 Cl6]'
_cell_volume [282.4930]
_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  1  0.9825  0.9966  0.9851  1.0
  Nd  Nd1  1  0.9703  0.4917  0.4654  1.0
  Ag  Ag2  1  0.4571  0.2317  0.6904  1.0
  Ag  Ag3  1  0.5509  0.7924  0.3536  1.0
  Cl  Cl4  1  0.1108  0.2415  0.7120  1.0
  Cl  Cl5  1  0.1242  0.3953  0.2245  1.0
  Cl  Cl6  1  0.4739  0.8803  0.6884  1.0
  Cl  Cl7  1  0.4905  0.1106  0.2213  1.0
  Cl  Cl8  1  0.8289  0.7473  0.2386  1.0
  Cl  Cl9  1  0.8358  0.6005  0.7231  1.0
]