data_[Sc2Fe4Co2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0514]
_cell_length_b [8.3056]
_cell_length_c [2.7187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ScFe2Co]
_chemical_formula_sum '[Sc2 Fe4 Co2]'
_cell_volume [106.1349]
_cell_formula_units_Z [2]
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  0.0000  0.5000  0.5000  1
  Fe  Fe1  4  0.2500  0.2500  0.0000  1
  Co  Co2  2  0.0000  0.0000  0.5000  1
]