data_[Sc20Tc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7131]
_cell_length_b [5.4568]
_cell_length_c [7.3654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc5Tc2]
_chemical_formula_sum '[Sc20 Tc8]'
_cell_volume [585.5102]
_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  8  0.0928  0.1365  0.9236  1
  Sc  Sc1  8  0.2144  0.3932  0.3221  1
  Sc  Sc2  4  0.0000  0.3666  0.2500  1
  Tc  Tc3  8  0.1057  0.3140  0.5840  1
]