data_[Tm16In2Ru4]
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 [C2/m]
_cell_length_a [8.6749]
_cell_length_b [12.9768]
_cell_length_c [5.3658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8InRu2]
_chemical_formula_sum '[Tm16 In2 Ru4]'
_cell_volume [586.3281]
_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  8  0.1975  0.1329  0.0785  1.0
  Tm  Tm1  4  0.0000  0.2477  0.5000  1.0
  Tm  Tm2  4  0.1153  0.5000  0.3015  1.0
  In  In3  2  0.0000  0.0000  0.5000  1.0
  Ru  Ru4  4  0.0000  0.3148  0.0000  1.0
]