data_[Th20In4Tc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.9813]
_cell_length_b [7.9813]
_cell_length_c [13.7521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Th5InTc2]
_chemical_formula_sum '[Th20 In4 Tc8]'
_cell_volume [876.0317]
_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
[
  Th  Th0  16  0.1577  0.3423  0.1350  1
  Th  Th1  4  0.0000  0.0000  0.0000  1
  In  In2  4  0.0000  0.0000  0.2500  1
  Tc  Tc3  8  0.1400  0.3600  0.5000  1
]