data_[Cs4Nd4Cr4Cl24]
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
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.3513]
_cell_length_b [10.0041]
_cell_length_c [13.6635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CsNdCrCl6]
_chemical_formula_sum '[Cs4 Nd4 Cr4 Cl24]'
_cell_volume [1278.2400]
_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  0.2500  0.4565  1.0
  Nd  Nd1  4  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  4  0.2500  0.2500  0.7500  1.0
  Cl  Cl3  16  0.2250  0.0697  0.8807  1.0
  Cl  Cl4  4  0.0000  0.2500  0.0912  1.0
  Cl  Cl5  4  0.0000  0.2500  0.7134  1.0
]