data_[Th6In6Tc6]
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 [Amm2]
_cell_length_a [5.2985]
_cell_length_b [11.9365]
_cell_length_c [6.9473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ThInTc]
_chemical_formula_sum '[Th6 In6 Tc6]'
_cell_volume [439.3842]
_cell_formula_units_Z [6]
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  4  0.5000  0.1632  0.2908  1
  Th  Th1  2  0.0000  0.0000  0.6200  1
  In  In2  4  0.0000  0.2201  0.9552  1
  In  In3  2  0.0000  0.0000  0.1296  1
  Tc  Tc4  4  0.5000  0.1062  0.9290  1
  Tc  Tc5  2  0.5000  0.0000  0.5884  1
]