data_[Ac4Sc2Tl2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9163]
_cell_length_b [6.1033]
_cell_length_c [10.3338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ac2ScTlO6]
_chemical_formula_sum '[Ac4 Sc2 Tl2 O12]'
_cell_volume [305.8867]
_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  4  0.2381  0.5510  0.7511  1
  Sc  Sc1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  2  0.5000  0.0000  0.0000  1
  O  O3  4  0.1318  0.7131  0.4406  1
  O  O4  4  0.2361  0.1919  0.4473  1
  O  O5  4  0.3435  0.5416  0.2387  1
]