data_[La4Tb14Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2586]
_cell_length_b [11.5777]
_cell_length_c [6.1772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5099]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Tb7Th2]
_chemical_formula_sum '[La4 Tb14 Th4]'
_cell_volume [738.3558]
_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  8  0.1703  0.2381  0.1622  1
  La  La1  4  0.0000  0.2172  0.5000  1
  Tb  Tb2  4  0.2488  0.0000  0.5796  1
  Tb  Tb3  2  0.0000  0.0000  0.0000  1
  Th  Th4  4  0.0940  0.5000  0.8144  1
]