data_[Ac12Tl4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2727]
_cell_length_b [4.2050]
_cell_length_c [13.0806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3TlO3]
_chemical_formula_sum '[Ac12 Tl4 O12]'
_cell_volume [714.1377]
_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
[
  Ac  Ac0  4  0.1238  0.0000  0.4368  1
  Ac  Ac1  4  0.1247  0.0000  0.8978  1
  Ac  Ac2  4  0.1549  0.5000  0.2017  1
  Tl  Tl3  4  0.1034  0.5000  0.6574  1
  O  O4  4  0.0644  0.0000  0.1901  1
  O  O5  4  0.1750  0.5000  0.0174  1
  O  O6  4  0.1925  0.5000  0.4054  1
]