data_[Al8Co4Si8]
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 [C2/m]
_cell_length_a [8.5400]
_cell_length_b [3.7025]
_cell_length_c [9.1434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2CoSi2]
_chemical_formula_sum '[Al8 Co4 Si8]'
_cell_volume [287.5493]
_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  0.0853  0.5000  0.1563  1.0
  Al  Al1  4  0.0950  0.0000  0.6911  1.0
  Co  Co2  4  0.1910  0.0000  0.3148  1.0
  Si  Si3  4  0.1365  0.5000  0.4642  1.0
  Si  Si4  4  0.2059  0.5000  0.9087  1.0
]