data_[Ba16Tc24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [10.2528]
_cell_length_b [15.0221]
_cell_length_c [6.7471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Ba2Tc3]
_chemical_formula_sum '[Ba16 Tc24]'
_cell_volume [1039.1766]
_cell_formula_units_Z [8]
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
[
  Ba  Ba0  16  0.0866  0.2998  0.6496  1
  Tc  Tc1  16  0.0918  0.3725  0.1648  1
  Tc  Tc2  8  0.0000  0.0000  0.8712  1
]