data_[Sc6Co6]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.1580]
_cell_length_b [3.2208]
_cell_length_c [6.1624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScCo]
_chemical_formula_sum '[Sc6 Co6]'
_cell_volume [191.5759]
_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  2  0.0008  0.0000  0.5367  1
  Sc  Sc1  2  0.0325  0.0000  0.0776  1
  Sc  Sc2  2  0.2315  0.5000  0.8882  1
  Co  Co3  2  0.2015  0.5000  0.3971  1
  Co  Co4  2  0.3441  0.0000  0.2324  1
  Co  Co5  2  0.3563  0.0000  0.7014  1
]