data_[Tb16Sn4Ru4]
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/c]
_cell_length_a [8.9071]
_cell_length_b [13.4747]
_cell_length_c [6.1537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb4SnRu]
_chemical_formula_sum '[Tb16 Sn4 Ru4]'
_cell_volume [674.0743]
_cell_formula_units_Z [4]
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  8  0.1114  0.1695  0.0662  1
  Tb  Tb1  8  0.2187  0.4301  0.3407  1
  Sn  Sn2  4  0.0000  0.3717  0.7500  1
  Ru  Ru3  4  0.0000  0.0003  0.7500  1
]