data_[Mn4Tl8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3395]
_cell_length_b [3.6994]
_cell_length_c [15.2798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [MnTl2O5]
_chemical_formula_sum '[Mn4 Tl8 O20]'
_cell_volume [414.8808]
_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
[
  Mn  Mn0  4  0.0933  0.2500  0.4304  1
  Tl  Tl1  4  0.1048  0.2500  0.0808  1
  Tl  Tl2  4  0.1779  0.2500  0.7466  1
  O  O3  4  0.0646  0.7500  0.1731  1
  O  O4  4  0.0702  0.7500  0.4581  1
  O  O5  4  0.1190  0.7500  0.6473  1
  O  O6  4  0.1668  0.7500  0.9943  1
  O  O7  4  0.2353  0.2500  0.3289  1
]