data_[Tb12Th8Zr4]
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
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [23.3284]
_cell_length_b [3.4060]
_cell_length_c [9.6842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Th2Zr]
_chemical_formula_sum '[Tb12 Th8 Zr4]'
_cell_volume [735.0600]
_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  0.0577  0.0000  0.7860  1
  Tb  Tb1  4  0.0709  0.5000  0.4647  1
  Tb  Tb2  4  0.1874  0.5000  0.0291  1
  Th  Th3  4  0.0660  0.5000  0.1245  1
  Th  Th4  4  0.1943  0.0000  0.6927  1
  Zr  Zr5  4  0.1890  0.0000  0.3694  1
]