data_[Tb12Th4Tc4]
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
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.0032]
_cell_length_b [3.9367]
_cell_length_c [13.0762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tb3ThTc]
_chemical_formula_sum '[Tb12 Th4 Tc4]'
_cell_volume [568.0415]
_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  2  0.0130  0.0000  0.9012  1
  Tb  Tb1  2  0.0471  0.5000  0.1492  1
  Tb  Tb2  2  0.0672  0.5000  0.5253  1
  Tb  Tb3  2  0.2046  0.0000  0.3849  1
  Tb  Tb4  2  0.2412  0.0000  0.7589  1
  Tb  Tb5  2  0.3969  0.5000  0.6236  1
  Th  Th6  2  0.2746  0.5000  0.0031  1
  Th  Th7  2  0.3837  0.5000  0.2941  1
  Tc  Tc8  2  0.0757  0.5000  0.7640  1
  Tc  Tc9  2  0.2351  0.0000  0.1373  1
]