data_[Tb16Sn4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2447]
_cell_length_b [5.0287]
_cell_length_c [6.7014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Sn2Ru]
_chemical_formula_sum '[Tb16 Sn4 Ru2]'
_cell_volume [624.1883]
_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
[
  Tb  Tb0  4  0.0184  0.0000  0.7860  1.0
  Tb  Tb1  4  0.0889  0.5000  0.4589  1.0
  Tb  Tb2  4  0.1444  0.5000  0.9956  1.0
  Tb  Tb3  4  0.2168  0.0000  0.3176  1.0
  Sn  Sn4  4  0.1810  0.0000  0.7532  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]