data_[Sc4Al16Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9818]
_cell_length_b [11.9534]
_cell_length_c [5.1965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ScAl4Tc]
_chemical_formula_sum '[Sc4 Al16 Tc4]'
_cell_volume [402.9543]
_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
[
  Sc  Sc0  4  0.0000  0.4142  0.7500  1
  Al  Al1  8  0.1012  0.1898  0.0378  1
  Al  Al2  8  0.2107  0.3771  0.3605  1
  Tc  Tc3  4  0.0000  0.0027  0.2500  1
]