data_[Fe4Co4Ni6]
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 [C2/m]
_cell_length_a [7.9283]
_cell_length_b [3.5020]
_cell_length_c [5.6642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe2Co2Ni3]
_chemical_formula_sum '[Fe4 Co4 Ni6]'
_cell_volume [155.5609]
_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
[
  Fe  Fe0  4  0.0710  0.5000  0.7189  1.0
  Co  Co1  4  0.1439  0.0000  0.4292  1.0
  Ni  Ni2  4  0.2140  0.5000  0.1452  1.0
  Ni  Ni3  2  0.0000  0.0000  0.0000  1.0
]