data_[Tb4Th4Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Th  1.3000  1.8000  1.0800
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3651]
_cell_length_b [4.0645]
_cell_length_c [7.0330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4283]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Th2Rh3]
_chemical_formula_sum '[Tb4 Th4 Rh6]'
_cell_volume [376.8867]
_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  0.1331  0.0000  0.3657  1
  Th  Th1  4  0.1268  0.5000  0.8881  1
  Rh  Rh2  4  0.2453  0.0000  0.7433  1
  Rh  Rh3  2  0.0000  0.0000  0.0000  1
]