data_[Tm16Hg4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2587]
_cell_length_b [5.2017]
_cell_length_c [6.8140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Hg2Ru]
_chemical_formula_sum '[Tm16 Hg4 Ru2]'
_cell_volume [576.9488]
_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  0.0230  0.0000  0.7890  1.0
  Tm  Tm1  4  0.0907  0.5000  0.4240  1.0
  Tm  Tm2  4  0.1540  0.5000  0.9558  1.0
  Tm  Tm3  4  0.1969  0.0000  0.2937  1.0
  Hg  Hg4  4  0.1835  0.0000  0.7097  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]