data_[Zn24Tc16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [9.4805]
_cell_length_b [13.6455]
_cell_length_c [4.5071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Zn3Tc2]
_chemical_formula_sum '[Zn24 Tc16]'
_cell_volume [583.0622]
_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
[
  Zn  Zn0  16  0.0195  0.0956  0.4046  1
  Zn  Zn1  8  0.0000  0.0000  0.9097  1
  Tc  Tc2  16  0.0086  0.2090  0.8905  1
]