data_[Cs2Nd2Sc2Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.3461]
_cell_length_b [4.7429]
_cell_length_c [11.1704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNdScTe3]
_chemical_formula_sum '[Cs2 Nd2 Sc2 Te6]'
_cell_volume [513.3210]
_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  0.2119  0.2500  0.2362  1.0
  Nd  Nd1  2  0.3366  0.7500  0.8659  1.0
  Sc  Sc2  2  0.0874  0.2500  0.6068  1.0
  Te  Te3  2  0.1202  0.2500  0.8658  1.0
  Te  Te4  2  0.2038  0.7500  0.5469  1.0
  Te  Te5  2  0.4709  0.7500  0.1647  1.0
]