data_[Cs2Rb4Nd2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Nd  1.1400  1.8500  1.2765
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3586]
_cell_length_b [8.9511]
_cell_length_c [14.3568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsRb2NdBr6]
_chemical_formula_sum '[Cs2 Rb4 Nd2 Br12]'
_cell_volume [890.8086]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.0000  1.0
  Rb  Rb1  4  0.2910  0.5762  0.7596  1.0
  Nd  Nd2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.0751  0.5708  0.2199  1.0
  Br  Br4  4  0.2438  0.2325  0.0882  1.0
  Br  Br5  4  0.3389  0.6728  0.0602  1.0
]