data_[Ac2Tl2Br4O2]
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
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3321]
_cell_length_b [4.3321]
_cell_length_c [18.0937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [AcTlBr2O]
_chemical_formula_sum '[Ac2 Tl2 Br4 O2]'
_cell_volume [339.5624]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.4316  1
  Tl  Tl1  2  0.0000  0.5000  0.8859  1
  Br  Br2  2  0.0000  0.5000  0.0694  1
  Br  Br3  2  0.0000  0.5000  0.6572  1
  O  O4  2  0.0000  0.0000  0.5000  1
]