data_[Ac10Tl8H2]
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 [I4]
_cell_length_a [10.3627]
_cell_length_b [10.3627]
_cell_length_c [6.3228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Ac5Tl4H]
_chemical_formula_sum '[Ac10 Tl8 H2]'
_cell_volume [678.9718]
_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  8  0.1238  0.7711  0.9930  1
  Ac  Ac1  2  0.0000  0.0000  0.4886  1
  Tl  Tl2  8  0.0495  0.6531  0.4949  1
  H  H3  2  0.0000  0.0000  0.0702  1
]