data_[Tm12In6Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [9.0004]
_cell_length_b [11.4925]
_cell_length_c [5.0582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Tm6In3Ru]
_chemical_formula_sum '[Tm12 In6 Ru2]'
_cell_volume [523.2029]
_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  4  0.0172  0.7646  0.0000  1.0
  Tm  Tm1  4  0.1544  0.9204  0.5000  1.0
  Tm  Tm2  4  0.1964  0.5909  0.5000  1.0
  In  In3  4  0.1508  0.2863  0.5000  1.0
  In  In4  2  0.0000  0.5000  0.0000  1.0
  Ru  Ru5  2  0.0000  0.0000  0.0000  1.0
]