data_[Th16In4Tc8]
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 [Cmcm]
_cell_length_a [4.6535]
_cell_length_b [11.7048]
_cell_length_c [14.2172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Th4InTc2]
_chemical_formula_sum '[Th16 In4 Tc8]'
_cell_volume [774.3824]
_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  8  0.0000  0.2189  0.6074  1
  Th  Th1  4  0.0000  0.0993  0.2500  1
  Th  Th2  4  0.0000  0.5000  0.0000  1
  In  In3  4  0.0000  0.3994  0.2500  1
  Tc  Tc4  8  0.0000  0.1046  0.0620  1
]