data_[Ca2Al1Co9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.4798]
_cell_length_b [8.4798]
_cell_length_c [2.5469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Ca2AlCo9]
_chemical_formula_sum '[Ca2 Al1 Co9]'
_cell_volume [158.6061]
_cell_formula_units_Z [1]
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
[
  Ca  Ca0  2  0.3333  0.6667  0.0000  1
  Al  Al1  1  0.0000  0.0000  0.0000  1
  Co  Co2  6  0.1574  0.3147  0.5000  1
  Co  Co3  3  0.0000  0.5000  0.0000  1
]