data_[Ba6Nd2Dy4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9696]
_cell_length_b [13.8094]
_cell_length_c [8.3165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Nd(DyTe3)2]
_chemical_formula_sum '[Ba6 Nd2 Dy4 Te12]'
_cell_volume [867.5793]
_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
[
  Ba  Ba0  4  0.0000  0.1636  0.5000  1.0
  Ba  Ba1  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd2  2  0.0000  0.0000  0.0000  1.0
  Dy  Dy3  4  0.0000  0.3320  0.0000  1.0
  Te  Te4  8  0.2439  0.1703  0.2190  1.0
  Te  Te5  4  0.2306  0.5000  0.2158  1.0
]