data_[Sc16Tc2Pt4]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8885]
_cell_length_b [4.6983]
_cell_length_c [6.4425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8TcPt2]
_chemical_formula_sum '[Sc16 Tc2 Pt4]'
_cell_volume [455.9398]
_cell_formula_units_Z [2]
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  0.0279  0.0000  0.7918  1
  Sc  Sc1  4  0.0973  0.5000  0.4478  1
  Sc  Sc2  4  0.1643  0.5000  0.9563  1
  Sc  Sc3  4  0.1955  0.0000  0.2913  1
  Tc  Tc4  2  0.0000  0.5000  0.0000  1
  Pt  Pt5  4  0.1844  0.0000  0.6935  1
]