data_[Sc3U6Co27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  U  1.3800  1.7500  0.9913
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7846]
_cell_length_b [4.7846]
_cell_length_c [24.3495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [ScU2Co9]
_chemical_formula_sum '[Sc3 U6 Co27]'
_cell_volume [482.7359]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  U  U1  6  0.0000  0.0000  0.1398  1
  Co  Co2  18  0.0012  0.5006  0.0816  1
  Co  Co3  6  0.0000  0.0000  0.3328  1
  Co  Co4  3  -0.0000  -0.0000  0.5000  1
]