data_[Sc8Co12Si16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.2152]
_cell_length_b [13.7372]
_cell_length_c [6.7923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sc2Co3Si4]
_chemical_formula_sum '[Sc8 Co12 Si16]'
_cell_volume [486.6149]
_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  0.0000  0.1072  0.5994  1.0
  Co  Co1  8  0.2500  0.2326  0.2500  1.0
  Co  Co2  4  0.0000  0.0000  0.0000  1.0
  Si  Si3  8  0.0000  0.1800  0.9801  1.0
  Si  Si4  8  0.2500  0.0638  0.2500  1.0
]