data_[Al6Co6]
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 [Amm2]
_cell_length_a [2.7548]
_cell_length_b [12.7173]
_cell_length_c [4.1278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [AlCo]
_chemical_formula_sum '[Al6 Co6]'
_cell_volume [144.6142]
_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
[
  Al  Al0  4  0.5000  0.1748  0.8531  1
  Al  Al1  2  0.0000  0.0000  0.0394  1
  Co  Co2  4  0.0000  0.1645  0.3569  1
  Co  Co3  2  0.5000  0.0000  0.5425  1
]