data_[Tb2Th6In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [9.7270]
_cell_length_b [6.8564]
_cell_length_c [6.8122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [TbTh3In4]
_chemical_formula_sum '[Tb2 Th6 In8]'
_cell_volume [454.3250]
_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  2  0.0000  0.5000  0.5000  1
  Th  Th1  4  0.2500  0.2367  0.2500  1
  Th  Th2  2  0.0000  0.0000  0.5000  1
  In  In3  4  0.2500  0.2610  0.7500  1
  In  In4  2  0.0000  0.0000  0.0000  1
  In  In5  2  0.0000  0.5000  0.0000  1
]