data_[Ba8Al4Bi4Te20]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5543]
_cell_length_b [20.9219]
_cell_length_c [14.1450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2AlBiTe5]
_chemical_formula_sum '[Ba8 Al4 Bi4 Te20]'
_cell_volume [1347.7991]
_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  0.1133  0.6833  1.0
  Ba  Ba1  4  0.0000  0.1238  0.3143  1.0
  Al  Al2  4  0.0000  0.4344  0.4348  1.0
  Bi  Bi3  4  0.0000  0.2116  0.0267  1.0
  Te  Te4  4  0.0000  0.0486  0.0413  1.0
  Te  Te5  4  0.0000  0.2824  0.6766  1.0
  Te  Te6  4  0.0000  0.3146  0.3688  1.0
  Te  Te7  4  0.0000  0.3545  0.0006  1.0
  Te  Te8  4  0.0000  0.4997  0.2776  1.0
]