data_[Al6Cr9Co6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.9933]
_cell_length_b [3.9933]
_cell_length_c [17.8254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Al2Cr3Co2]
_chemical_formula_sum '[Al6 Cr9 Co6]'
_cell_volume [246.1714]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2319  1
  Al  Al1  3  0.0000  0.0000  0.8065  1
  Cr  Cr2  3  0.0000  0.0000  0.0815  1
  Cr  Cr3  3  0.0000  0.0000  0.3759  1
  Cr  Cr4  3  0.0000  0.0000  0.6618  1
  Co  Co5  3  0.0000  0.0000  0.5187  1
  Co  Co6  3  0.0000  0.0000  0.9488  1
]