data_[Ba8Tm4Tl4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tm  1.2500  1.7500  1.0950
  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 [3.5993]
_cell_length_b [14.8792]
_cell_length_c [11.6535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2TmTlO5]
_chemical_formula_sum '[Ba8 Tm4 Tl4 O20]'
_cell_volume [624.0995]
_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  0.1092  0.6909  1.0
  Ba  Ba1  4  0.0000  0.1412  0.2913  1.0
  Tm  Tm2  4  0.0000  0.2184  0.0119  1.0
  Tl  Tl3  4  0.0000  0.4755  0.4620  1.0
  O  O4  4  0.0000  0.0630  0.0582  1.0
  O  O5  4  0.0000  0.2792  0.6364  1.0
  O  O6  4  0.0000  0.3100  0.3909  1.0
  O  O7  4  0.0000  0.3656  0.9999  1.0
  O  O8  4  0.0000  0.4937  0.7825  1.0
]