data_[Cs4Na4Nd4Cl20]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3664]
_cell_length_b [13.1448]
_cell_length_c [10.5979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsNaNdCl5]
_chemical_formula_sum '[Cs4 Na4 Nd4 Cl20]'
_cell_volume [1211.1345]
_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  0.3360  0.2500  1.0
  Na  Na1  4  0.0000  0.3130  0.7500  1.0
  Nd  Nd2  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.0939  0.1943  0.5875  1.0
  Cl  Cl4  8  0.1988  0.4441  0.9266  1.0
  Cl  Cl5  4  0.0000  0.0643  0.2500  1.0
]