data_[Tb4Th6Fe4]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7516]
_cell_length_b [3.8510]
_cell_length_c [9.3187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Th3Fe2]
_chemical_formula_sum '[Tb4 Th6 Fe4]'
_cell_volume [368.2494]
_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  0.1059  0.5000  0.3946  1
  Th  Th1  4  0.1717  0.0000  0.7552  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  Fe  Fe3  4  0.1413  0.5000  0.9204  1
]