data_[Cs2La4Nd6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2986]
_cell_length_b [4.5530]
_cell_length_c [9.4781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsLa2(NdTe2)3]
_chemical_formula_sum '[Cs2 La4 Nd6 Te12]'
_cell_volume [848.7956]
_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  1.0
  La  La1  4  0.1696  0.0000  0.3404  1.0
  Nd  Nd2  4  0.1612  0.0000  0.8194  1.0
  Nd  Nd3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  4  0.0027  0.0000  0.2764  1.0
  Te  Te5  4  0.1646  0.5000  0.5842  1.0
  Te  Te6  4  0.1777  0.5000  0.0837  1.0
]