data_[Ba6Sm2Dy4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sm  1.1700  1.8500  1.2290
  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 [7.9377]
_cell_length_b [13.7545]
_cell_length_c [8.2954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Sm(DyTe3)2]
_chemical_formula_sum '[Ba6 Sm2 Dy4 Te12]'
_cell_volume [858.5759]
_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  0.1647  0.5000  1.0
  Ba  Ba1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  2  0.0000  0.0000  0.0000  1.0
  Dy  Dy3  4  0.0000  0.3324  0.0000  1.0
  Te  Te4  8  0.2419  0.1690  0.2175  1.0
  Te  Te5  4  0.2335  0.5000  0.2153  1.0
]