data_[Ba6Sm2Y4Te12]
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
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9491]
_cell_length_b [13.7742]
_cell_length_c [8.3104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Sm(YTe3)2]
_chemical_formula_sum '[Ba6 Sm2 Y4 Te12]'
_cell_volume [862.5397]
_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  0.1650  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
  Y  Y3  4  0.0000  0.3326  0.0000  1.0
  Te  Te4  8  0.2417  0.1687  0.2179  1.0
  Te  Te5  4  0.2344  0.5000  0.2162  1.0
]