data_[Tm36In18Ru3]
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 [R-3]
_cell_length_a [11.2695]
_cell_length_b [11.2695]
_cell_length_c [13.7223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tm12In6Ru]
_chemical_formula_sum '[Tm36 In18 Ru3]'
_cell_volume [1509.2556]
_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  0.0394  0.8572  0.8300  1
  Tm  Tm1  18  0.0627  0.2094  0.4063  1
  In  In2  18  0.0301  0.5957  0.7117  1
  Ru  Ru3  3  0.0000  0.0000  0.0000  1
]