data_[Tb16Bi4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Bi  2.0200  1.6000  1.0350
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2915]
_cell_length_b [4.6953]
_cell_length_c [7.2420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7434]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Bi2Ru]
_chemical_formula_sum '[Tb16 Bi4 Ru2]'
_cell_volume [650.0022]
_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  0.0019  0.0000  0.7742  1.0
  Tb  Tb1  4  0.0941  0.5000  0.5126  1.0
  Tb  Tb2  4  0.1372  0.5000  0.0383  1.0
  Tb  Tb3  4  0.2149  0.0000  0.3454  1.0
  Bi  Bi4  4  0.1831  0.0000  0.7816  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]