data_[Ba8Tl4In4O20]
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
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6009]
_cell_length_b [14.8675]
_cell_length_c [11.6040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2TlInO5]
_chemical_formula_sum '[Ba8 Tl4 In4 O20]'
_cell_volume [621.2306]
_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  0.1052  0.6793  1.0
  Ba  Ba1  4  0.0000  0.1427  0.2967  1.0
  Tl  Tl2  4  0.0000  0.4654  0.4555  1.0
  In  In3  4  0.0000  0.2204  0.0183  1.0
  O  O4  4  0.0000  0.0668  0.0560  1.0
  O  O5  4  0.0000  0.2781  0.6429  1.0
  O  O6  4  0.0000  0.3105  0.3981  1.0
  O  O7  4  0.0000  0.3679  0.9980  1.0
  O  O8  4  0.0000  0.4938  0.7792  1.0
]