data_[Ba8La4Tl4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7322]
_cell_length_b [15.4176]
_cell_length_c [11.6582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2LaTlO5]
_chemical_formula_sum '[Ba8 La4 Tl4 O20]'
_cell_volume [670.8206]
_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  0.1142  0.7008  1.0
  Ba  Ba1  4  0.0000  0.1345  0.2847  1.0
  La  La2  4  0.0000  0.2176  0.0042  1.0
  Tl  Tl3  4  0.0000  0.4854  0.4695  1.0
  O  O4  4  0.0000  0.0554  0.0567  1.0
  O  O5  4  0.0000  0.2834  0.6414  1.0
  O  O6  4  0.0000  0.3046  0.3735  1.0
  O  O7  4  0.0000  0.3706  0.0073  1.0
  O  O8  4  0.0000  0.4964  0.7859  1.0
]