data_[Sc13Co2]
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 [P-1]
_cell_length_a [5.8156]
_cell_length_b [7.4107]
_cell_length_c [8.7901]
_cell_angle_alpha [65.5195]
_cell_angle_beta [88.9519]
_cell_angle_gamma [82.4080]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sc13Co2]
_chemical_formula_sum '[Sc13 Co2]'
_cell_volume [341.4769]
_cell_formula_units_Z [1]
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  0.0497  0.5114  0.3181  1.0
  Sc  Sc1  2  0.1732  0.0608  0.6111  1.0
  Sc  Sc2  2  0.2238  0.6195  0.9395  1.0
  Sc  Sc3  2  0.3085  0.1558  0.2291  1.0
  Sc  Sc4  2  0.4205  0.6695  0.5620  1.0
  Sc  Sc5  2  0.4402  0.2268  0.8533  1.0
  Sc  Sc6  1  0.0000  0.0000  0.0000  1.0
  Co  Co7  2  0.1968  0.8231  0.2879  1.0
]