data_[Tb8Y2Th10]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [25.4516]
_cell_length_b [3.5903]
_cell_length_c [7.1033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1831]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4YTh5]
_chemical_formula_sum '[Tb8 Y2 Th10]'
_cell_volume [642.4850]
_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  0.1002  0.0000  0.3067  1
  Tb  Tb1  4  0.2010  0.5000  0.1029  1
  Y  Y2  2  0.0000  0.5000  0.0000  1
  Th  Th3  4  0.1003  0.0000  0.7933  1
  Th  Th4  4  0.1997  0.5000  0.6013  1
  Th  Th5  2  0.0000  0.5000  0.5000  1
]