data_[Cs2Nd2Sc2Se6]
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
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.7647]
_cell_length_b [4.5105]
_cell_length_c [10.5912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNdScSe3]
_chemical_formula_sum '[Cs2 Nd2 Sc2 Se6]'
_cell_volume [438.1190]
_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  2  0.2135  0.2500  0.2306  1.0
  Nd  Nd1  2  0.3367  0.7500  0.8654  1.0
  Sc  Sc2  2  0.0891  0.2500  0.6077  1.0
  Se  Se3  2  0.1230  0.2500  0.8598  1.0
  Se  Se4  2  0.1929  0.7500  0.5508  1.0
  Se  Se5  2  0.4731  0.7500  0.1575  1.0
]