data_[Al16Fe4Co2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [16.3156]
_cell_length_b [4.0657]
_cell_length_c [4.9969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al8Fe2Co]
_chemical_formula_sum '[Al16 Fe4 Co2]'
_cell_volume [316.7525]
_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
[
  Al  Al0  4  0.0442  0.0000  0.8185  1
  Al  Al1  4  0.0904  0.5000  0.4693  1
  Al  Al2  4  0.1513  0.5000  0.0110  1
  Al  Al3  4  0.2334  0.0000  0.3277  1
  Fe  Fe4  4  0.1935  0.0000  0.7941  1
  Co  Co5  2  0.0000  0.5000  0.0000  1
]