data_[Tb4Ru2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ru  2.2000  1.3000  0.6610
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3473]
_cell_length_b [3.7353]
_cell_length_c [8.4088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2RuI]
_chemical_formula_sum '[Tb4 Ru2 I2]'
_cell_volume [224.0962]
_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  0.2486  0.5000  0.3118  1.0
  Ru  Ru1  2  0.0000  0.5000  0.5000  1.0
  I  I2  2  0.0000  0.0000  0.0000  1.0
]