data_[Ac1Tl1H6Ru1]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0358]
_cell_length_b [5.0358]
_cell_length_c [4.6957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [AcTlH6Ru]
_chemical_formula_sum '[Ac1 Tl1 H6 Ru1]'
_cell_volume [103.1256]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1388  1
  Tl  Tl1  1  0.3333  0.6667  0.7281  1
  H  H2  3  0.3207  0.1604  0.6474  1
  H  H3  3  0.5117  0.0234  0.2435  1
  Ru  Ru4  1  0.6667  0.3333  0.4626  1
]