data_[Rb3Nd3In6Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.2705]
_cell_length_b [8.2705]
_cell_length_c [21.5480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbNd(InBr3)2]
_chemical_formula_sum '[Rb3 Nd3 In6 Br18]'
_cell_volume [1276.4381]
_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
[
  Rb  Rb0  3  0.0000  0.0000  0.1877  1.0
  Nd  Nd1  3  0.0000  0.0000  0.6774  1.0
  In  In2  3  0.0000  0.0000  0.4790  1.0
  In  In3  3  0.0000  0.0000  0.9858  1.0
  Br  Br4  9  0.0087  0.7321  0.5894  1.0
  Br  Br5  9  0.0172  0.3862  0.4133  1.0
]