data_[Cs10Nd4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nd  1.1400  1.8500  1.2765
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9352]
_cell_length_b [8.6618]
_cell_length_c [11.8075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs5Nd2Br12]
_chemical_formula_sum '[Cs10 Nd4 Br24]'
_cell_volume [1931.7266]
_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  4  0.1935  0.5000  0.8395  1.0
  Cs  Cs1  4  0.2078  0.5000  0.3580  1.0
  Cs  Cs2  2  0.0000  0.0000  0.5000  1.0
  Nd  Nd3  4  0.0000  0.2495  0.0000  1.0
  Br  Br4  8  0.1452  0.2809  0.5668  1.0
  Br  Br5  8  0.1508  0.2579  0.0717  1.0
  Br  Br6  4  0.0043  0.0000  0.1716  1.0
  Br  Br7  4  0.0043  0.5000  0.1731  1.0
]