data_[Sc6Co18Si12]
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 [C2/m]
_cell_length_a [14.9160]
_cell_length_b [3.6952]
_cell_length_c [8.9307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ScCo3Si2]
_chemical_formula_sum '[Sc6 Co18 Si12]'
_cell_volume [467.8760]
_cell_formula_units_Z [6]
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  0.1610  0.0000  0.7041  1
  Sc  Sc1  2  0.0000  0.0000  0.0000  1
  Co  Co2  4  0.0433  0.0000  0.3389  1
  Co  Co3  4  0.1198  0.5000  0.1967  1
  Co  Co4  4  0.1798  0.5000  0.9672  1
  Co  Co5  4  0.2131  0.0000  0.3936  1
  Co  Co6  2  0.0000  0.5000  0.5000  1
  Si  Si7  4  0.0365  0.5000  0.7798  1
  Si  Si8  4  0.1391  0.5000  0.4540  1
  Si  Si9  4  0.1956  0.0000  0.1302  1
]