data_[Cs4Na4Nd4Br20]
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 [C2/c]
_cell_length_a [9.8166]
_cell_length_b [13.7946]
_cell_length_c [11.2000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsNaNdBr5]
_chemical_formula_sum '[Cs4 Na4 Nd4 Br20]'
_cell_volume [1405.5771]
_cell_formula_units_Z [4]
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  4  0.0000  0.3365  0.2500  1
  Na  Na1  4  0.0000  0.3111  0.7500  1
  Nd  Nd2  4  0.0000  0.0000  0.0000  1
  Br  Br3  8  0.0958  0.1959  0.5852  1
  Br  Br4  8  0.1960  0.4447  0.9295  1
  Br  Br5  4  0.0000  0.0642  0.2500  1
]