data_[Ba8Te48Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [15.0733]
_cell_length_b [17.4733]
_cell_length_c [10.0062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Ba(Te3Cl)2]
_chemical_formula_sum '[Ba8 Te48 Cl16]'
_cell_volume [2635.4317]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.9021  1
  Te  Te1  16  0.0199  0.1275  0.2408  1
  Te  Te2  16  0.0348  0.2082  0.9822  1
  Te  Te3  16  0.1208  0.2579  0.6220  1
  Cl  Cl4  16  0.0452  0.3959  0.1709  1
]