data_[Ba2Sm2Al2Te8]
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
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3720]
_cell_length_b [7.6494]
_cell_length_c [9.3155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaSmAlTe4]
_chemical_formula_sum '[Ba2 Sm2 Al2 Te8]'
_cell_volume [501.2729]
_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  2  0.2308  0.2500  0.0550  1
  Sm  Sm1  2  0.2329  0.2500  0.5578  1
  Al  Al2  2  0.2312  0.7500  0.3234  1
  Te  Te3  4  0.0128  0.5101  0.7235  1
  Te  Te4  2  0.4236  0.7500  0.1309  1
  Te  Te5  2  0.4454  0.7500  0.5990  1
]