data_[Tm24Sn4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.2334]
_cell_length_b [9.3425]
_cell_length_c [10.4003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm6SnRu2]
_chemical_formula_sum '[Tm24 Sn4 Ru8]'
_cell_volume [897.1614]
_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  0.2079  0.2398  1.0
  Tm  Tm1  8  0.1882  0.5000  0.1664  1.0
  Tm  Tm2  8  0.2101  0.3188  0.5000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn4  2  0.0000  0.0000  0.5000  1.0
  Ru  Ru5  4  0.0000  0.3254  0.0000  1.0
  Ru  Ru6  4  0.0000  0.5000  0.3670  1.0
]