data_[Ba8Al4In4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4293]
_cell_length_b [21.6724]
_cell_length_c [13.7755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2AlInTe5]
_chemical_formula_sum '[Ba8 Al4 In4 Te20]'
_cell_volume [1322.3686]
_cell_formula_units_Z [4]
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  0.1144  0.6811  1.0
  Ba  Ba1  4  0.0000  0.1172  0.2946  1.0
  Al  Al2  4  0.0000  0.4350  0.4471  1.0
  In  In3  4  0.0000  0.2279  0.0241  1.0
  Te  Te4  4  0.0000  0.0413  0.0531  1.0
  Te  Te5  4  0.0000  0.2802  0.6700  1.0
  Te  Te6  4  0.0000  0.3184  0.3844  1.0
  Te  Te7  4  0.0000  0.3565  0.9886  1.0
  Te  Te8  4  0.0000  0.4933  0.2811  1.0
]