data_[Tm36Sb18Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sb  2.0500  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.8893]
_cell_length_b [12.8893]
_cell_length_c [11.8588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tm12Sb6Ru]
_chemical_formula_sum '[Tm36 Sb18 Ru3]'
_cell_volume [1706.1878]
_cell_formula_units_Z [3]
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  18  0.0279  0.8416  0.3855  1
  Tm  Tm1  18  0.0622  0.8717  0.8782  1
  Sb  Sb2  18  0.0436  0.7573  0.6383  1
  Ru  Ru3  3  0.0000  0.0000  0.0000  1
]