data_[Tb2Ge6Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.1336]
_cell_length_b [5.6993]
_cell_length_c [5.7078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [TbGe3Ru]
_chemical_formula_sum '[Tb2 Ge6 Ru2]'
_cell_volume [199.5290]
_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  2  0.0000  0.3595  0.5798  1
  Ge  Ge1  4  0.2339  0.1743  0.0366  1
  Ge  Ge2  2  0.0000  0.5854  0.1274  1
  Ru  Ru3  2  0.0000  0.8843  0.8419  1
]