data_[Al6Co1Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.5976]
_cell_length_b [6.5976]
_cell_length_c [3.6836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Al6CoSi2]
_chemical_formula_sum '[Al6 Co1 Si2]'
_cell_volume [138.8598]
_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
[
  Al  Al0  3  0.0000  0.3760  0.0000  1.0
  Al  Al1  3  0.0000  0.7548  0.5000  1.0
  Co  Co2  1  0.0000  0.0000  0.0000  1.0
  Si  Si3  2  0.3333  0.6667  0.5000  1.0
]