data_[Cs4Nd2In2Cl12]
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
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9911]
_cell_length_b [8.3322]
_cell_length_c [13.9205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2NdInCl6]
_chemical_formula_sum '[Cs4 Nd2 In2 Cl12]'
_cell_volume [762.6763]
_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  0.2683  0.0593  0.2506  1.0
  Nd  Nd1  2  0.0000  0.0000  0.5000  1.0
  In  In2  2  0.5000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1459  0.0266  0.7321  1.0
  Cl  Cl4  4  0.2300  0.7269  0.5471  1.0
  Cl  Cl5  4  0.3197  0.1863  0.5415  1.0
]