data_[Tb4Tm12Th8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [23.2857]
_cell_length_b [3.4386]
_cell_length_c [10.0621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbTm3Th2]
_chemical_formula_sum '[Tb4 Tm12 Th8]'
_cell_volume [765.0320]
_cell_formula_units_Z [4]
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  0.1871  0.5000  0.0368  1
  Tm  Tm1  4  0.0583  0.5000  0.4441  1
  Tm  Tm2  4  0.0677  0.0000  0.7709  1
  Tm  Tm3  4  0.1942  0.5000  0.7114  1
  Th  Th4  4  0.0710  0.0000  0.1359  1
  Th  Th5  4  0.1906  0.5000  0.3757  1
]