data_[Nb8Al4Co2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3883]
_cell_length_b [4.3883]
_cell_length_c [14.4182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Nb4Al2Co]
_chemical_formula_sum '[Nb8 Al4 Co2]'
_cell_volume [277.6533]
_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
[
  Nb  Nb0  4  0.0000  0.0000  0.1704  1
  Nb  Nb1  4  0.0000  0.5000  0.0000  1
  Al  Al2  4  0.0000  0.0000  0.3619  1
  Co  Co3  2  0.0000  0.0000  0.0000  1
]