data_[Ba4Tl8Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0807]
_cell_length_b [12.0540]
_cell_length_c [20.9008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaTl2Te5]
_chemical_formula_sum '[Ba4 Tl8 Te20]'
_cell_volume [1280.0153]
_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  0.2635  0.2500  1
  Tl  Tl1  8  0.0000  0.3940  0.5940  1
  Te  Te2  8  0.0000  0.0997  0.6373  1
  Te  Te3  8  0.0000  0.3216  0.0825  1
  Te  Te4  4  0.0000  0.4437  0.7500  1
]