data_[Th64In16Tc16]
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 [F-43m]
_cell_length_a [14.0105]
_cell_length_b [14.0105]
_cell_length_c [14.0105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Th4InTc]
_chemical_formula_sum '[Th64 In16 Tc16]'
_cell_volume [2750.1879]
_cell_formula_units_Z [16]
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  24  0.0000  0.0000  0.3060  1
  Th  Th1  24  0.0626  0.2500  0.7500  1
  Th  Th2  16  0.1534  0.1534  0.1534  1
  In  In3  16  0.0805  0.0805  0.9195  1
  Tc  Tc4  16  0.1368  0.1368  0.3632  1
]