data_[Cs3Na6Nd3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.7847]
_cell_length_b [7.7847]
_cell_length_c [21.4772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsNa2NdBr6]
_chemical_formula_sum '[Cs3 Na6 Nd3 Br18]'
_cell_volume [1127.1687]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.7933  1.0
  Na  Na1  3  0.0000  0.0000  0.0018  1.0
  Na  Na2  3  0.0000  0.0000  0.5195  1.0
  Nd  Nd3  3  0.0000  0.0000  0.3260  1.0
  Br  Br4  9  0.0073  0.3392  0.9247  1.0
  Br  Br5  9  0.1155  0.7665  0.0830  1.0
]