data_[Al10Co12Si2]
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 [Cmmm]
_cell_length_a [4.0189]
_cell_length_b [12.0735]
_cell_length_c [5.6606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Al5Co6Si]
_chemical_formula_sum '[Al10 Co12 Si2]'
_cell_volume [274.6620]
_cell_formula_units_Z [2]
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  0.0000  0.3308  0.0000  1
  Al  Al1  4  0.0000  0.3328  0.5000  1
  Al  Al2  2  0.0000  0.0000  0.5000  1
  Co  Co3  8  0.0000  0.1625  0.2459  1
  Co  Co4  4  0.0000  0.5000  0.2403  1
  Si  Si5  2  0.0000  0.0000  0.0000  1
]