data_[Sc8Al8Co8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.1445]
_cell_length_b [5.1965]
_cell_length_c [8.8172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ScAlCo]
_chemical_formula_sum '[Sc8 Al8 Co8]'
_cell_volume [373.1698]
_cell_formula_units_Z [8]
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  0.1734  0.0000  0.6707  1.0
  Sc  Sc1  4  0.2950  0.0000  0.3333  1.0
  Al  Al2  4  0.2305  0.0000  0.9938  1.0
  Al  Al3  4  0.5000  0.2454  0.5886  1.0
  Co  Co4  4  0.0000  0.2326  0.4092  1.0
  Co  Co5  2  0.0000  0.0000  0.1740  1.0
  Co  Co6  2  0.5000  0.0000  0.8343  1.0
]