data_[Ac12Tl8H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.9245]
_cell_length_b [6.9824]
_cell_length_c [7.6048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ac3Tl2H]
_chemical_formula_sum '[Ac12 Tl8 H4]'
_cell_volume [779.0884]
_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  8  0.1359  0.0991  0.6232  1
  Ac  Ac1  4  0.0000  0.4154  0.2500  1
  Tl  Tl2  8  0.1760  0.3874  0.0487  1
  H  H3  4  0.0000  0.0553  0.2500  1
]