data_[Al4Co8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.7094]
_cell_length_b [4.7094]
_cell_length_c [7.5447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [AlCo2]
_chemical_formula_sum '[Al4 Co8]'
_cell_volume [144.9124]
_cell_formula_units_Z [4]
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  0.3333  0.6667  0.0648  1
  Co  Co1  6  0.1726  0.3453  0.7500  1
  Co  Co2  2  0.0000  0.0000  0.0000  1
]