data_[Cs2Nd6Sm4Te12]
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
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0186]
_cell_length_b [4.5000]
_cell_length_c [9.4354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsNd3(SmTe3)2]
_chemical_formula_sum '[Cs2 Nd6 Sm4 Te12]'
_cell_volume [826.2943]
_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  0.0000  0.5000  0.0000  1
  Nd  Nd1  4  0.1590  0.0000  0.8160  1
  Nd  Nd2  2  0.0000  0.5000  0.5000  1
  Sm  Sm3  4  0.1704  0.0000  0.3450  1
  Te  Te4  4  0.0065  0.0000  0.2767  1
  Te  Te5  4  0.1663  0.5000  0.5799  1
  Te  Te6  4  0.1789  0.5000  0.0913  1
]