data_[Th4Tl5Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tl  1.6200  1.9000  1.3325
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.2110]
_cell_length_b [3.7710]
_cell_length_c [9.7524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Th4Tl5Ru2]
_chemical_formula_sum '[Th4 Tl5 Ru2]'
_cell_volume [301.4429]
_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
[
  Th  Th0  2  0.1879  0.5000  0.8384  1
  Th  Th1  2  0.2060  0.5000  0.4343  1
  Tl  Tl2  2  0.1517  0.0000  0.1373  1
  Tl  Tl3  2  0.4638  0.0000  0.6638  1
  Tl  Tl4  1  0.5000  0.0000  0.0000  1
  Ru  Ru5  2  0.0955  0.0000  0.6365  1
]