data_[Tm2U2Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  U  1.3800  1.7500  0.9913
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6399]
_cell_length_b [5.6892]
_cell_length_c [6.6488]
_cell_angle_alpha [81.1940]
_cell_angle_beta [80.1587]
_cell_angle_gamma [60.3363]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TmURu3]
_chemical_formula_sum '[Tm2 U2 Ru6]'
_cell_volume [182.0665]
_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
[
  Tm  Tm0  2  0.1592  0.1655  0.0620  1
  U  U1  1  0.0000  0.0000  0.5000  1
  U  U2  1  0.5000  0.5000  0.0000  1
  Ru  Ru3  2  0.1066  0.5855  0.3110  1
  Ru  Ru4  2  0.3904  0.9043  0.6817  1
  Ru  Ru5  2  0.3947  0.3925  0.6969  1
]