data_[La3Tb9Th12As24]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4706]
_cell_length_b [8.4706]
_cell_length_c [20.6299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LaTb3(ThAs2)4]
_chemical_formula_sum '[La3 Tb9 Th12 As24]'
_cell_volume [1281.8939]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1
  La  La1  3  0.0000  0.0000  0.5000  1
  Th  Th2  9  0.0000  0.5000  0.0000  1
  Th  Th3  3  -0.0000  -0.0000  0.0000  1
  As  As4  18  0.0052  0.5026  0.7505  1
  As  As5  6  0.0000  0.0000  0.2482  1
]