data_[Al16Co2Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4599]
_cell_length_b [4.0698]
_cell_length_c [5.2107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al8CoCu2]
_chemical_formula_sum '[Al16 Co2 Cu4]'
_cell_volume [333.1157]
_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  0.0284  0.0000  0.7818  1.0
  Al  Al1  4  0.0915  0.5000  0.4489  1.0
  Al  Al2  4  0.1463  0.5000  0.9957  1.0
  Al  Al3  4  0.2286  0.0000  0.3074  1.0
  Co  Co4  2  0.0000  0.5000  0.0000  1.0
  Cu  Cu5  4  0.1812  0.0000  0.7331  1.0
]