data_[Tm16Mg4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2034]
_cell_length_b [5.4214]
_cell_length_c [6.9257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Mg2Ru]
_chemical_formula_sum '[Tm16 Mg4 Ru2]'
_cell_volume [600.7652]
_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  0.0133  0.0000  0.7756  1.0
  Tm  Tm1  4  0.1044  0.5000  0.4023  1.0
  Tm  Tm2  4  0.1420  0.5000  0.9209  1.0
  Tm  Tm3  4  0.1908  0.0000  0.2446  1.0
  Mg  Mg4  4  0.1851  0.0000  0.6932  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]