data_[Na6Nd3Ag3Br18]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.4433]
_cell_length_b [7.4433]
_cell_length_c [20.0629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2NdAgBr6]
_chemical_formula_sum '[Na6 Nd3 Ag3 Br18]'
_cell_volume [962.6324]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4795  1
  Na  Na1  3  0.0000  0.0000  0.9858  1
  Nd  Nd2  3  0.0000  0.0000  0.6773  1
  Ag  Ag3  3  0.0000  0.0000  0.1879  1
  Br  Br4  9  0.0332  0.6768  0.2509  1
  Br  Br5  9  0.0369  0.3488  0.7519  1
]