data_[Tm24Al4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.1696]
_cell_length_b [9.1847]
_cell_length_c [10.3801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm6AlRu2]
_chemical_formula_sum '[Tm24 Al4 Ru8]'
_cell_volume [874.2058]
_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
[
  Tm  Tm0  8  0.0000  0.1993  0.2420  1
  Tm  Tm1  8  0.1888  0.5000  0.1671  1
  Tm  Tm2  8  0.2130  0.3187  0.5000  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
  Al  Al4  2  0.0000  0.0000  0.5000  1
  Ru  Ru5  4  0.0000  0.3154  0.0000  1
  Ru  Ru6  4  0.0000  0.5000  0.3673  1
]