data_[Sc36Ga18Co3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8604]
_cell_length_b [11.8604]
_cell_length_c [11.1159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sc12Ga6Co]
_chemical_formula_sum '[Sc36 Ga18 Co3]'
_cell_volume [1354.1741]
_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  18  0.0361  0.8278  0.3936  1
  Sc  Sc1  18  0.0525  0.8566  0.8823  1
  Ga  Ga2  18  0.0514  0.7768  0.6446  1
  Co  Co3  3  0.0000  0.0000  0.0000  1
]