data_[Tb6Y12Th4Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1343]
_cell_length_b [10.6227]
_cell_length_c [11.7692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0328]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Y6Th2Sc]
_chemical_formula_sum '[Tb6 Y12 Th4 Sc2]'
_cell_volume [755.1842]
_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  0.0000  0.1664  0.5000  1
  Tb  Tb1  2  0.0000  0.5000  0.5000  1
  Y  Y2  8  0.2482  0.1664  0.2458  1
  Y  Y3  4  0.2484  0.5000  0.2462  1
  Th  Th4  4  0.0000  0.3335  0.0000  1
  Sc  Sc5  2  0.0000  0.0000  0.0000  1
]