data_[Sc20Si8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [13.7376]
_cell_length_b [7.0917]
_cell_length_c [7.1231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sc5(SiSe)2]
_chemical_formula_sum '[Sc20 Si8 Se8]'
_cell_volume [693.9536]
_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  16  0.1323  0.1674  0.3335  1
  Sc  Sc1  4  0.0000  0.0000  0.0000  1
  Si  Si2  8  0.0000  0.1276  0.6263  1
  Se  Se3  8  0.2027  0.0000  0.0000  1
]