data_[Fe3Co3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.0219]
_cell_length_b [4.0219]
_cell_length_c [4.9537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [FeCo]
_chemical_formula_sum '[Fe3 Co3]'
_cell_volume [69.3940]
_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
[
  Fe  Fe0  1  0.3333  0.6667  0.3317  1.0
  Fe  Fe1  1  0.3333  0.6667  0.8335  1.0
  Fe  Fe2  1  0.6667  0.3333  0.5002  1.0
  Co  Co3  1  0.0000  0.0000  0.1705  1.0
  Co  Co4  1  0.0000  0.0000  0.6690  1.0
  Co  Co5  1  0.6667  0.3333  0.9951  1.0
]