data_[Fe36Co6Ni18]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.8442]
_cell_length_b [9.8442]
_cell_length_c [8.3035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Fe6CoNi3]
_chemical_formula_sum '[Fe36 Co6 Ni18]'
_cell_volume [696.8718]
_cell_formula_units_Z [6]
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  18  0.0000  0.2602  0.0000  1
  Fe  Fe1  18  0.0529  0.5265  0.1243  1
  Co  Co2  3  0.0000  0.0000  0.0000  1
  Co  Co3  3  0.0000  0.0000  0.5000  1
  Ni  Ni4  18  0.0849  0.1698  0.7488  1
]