data_[Sc20Tc4Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.0851]
_cell_length_b [8.5551]
_cell_length_c [9.4236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc5TcSn]
_chemical_formula_sum '[Sc20 Tc4 Sn4]'
_cell_volume [648.6211]
_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  0.1543  0.2137  0.1523  1
  Sc  Sc1  8  0.1927  0.4124  0.5151  1
  Sc  Sc2  4  0.0000  0.1314  0.7500  1
  Tc  Tc3  4  0.0000  0.0000  0.0000  1
  Sn  Sn4  4  0.0000  0.4800  0.7500  1
]