data_[Nd18Pb3Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.2987]
_cell_length_b [7.2987]
_cell_length_c [33.2932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd6PbBr8]
_chemical_formula_sum '[Nd18 Pb3 Br24]'
_cell_volume [1535.9466]
_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
[
  Nd  Nd0  18  0.0005  0.6522  0.9466  1
  Pb  Pb1  3  0.0000  0.0000  0.0000  1
  Br  Br2  18  0.0003  0.6797  0.1088  1
  Br  Br3  6  0.0000  0.0000  0.3335  1
]