data_[Be8Al4Cu24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [3.9603]
_cell_length_b [8.6685]
_cell_length_c [11.8313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Be2AlCu6]
_chemical_formula_sum '[Be8 Al4 Cu24]'
_cell_volume [406.1737]
_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
[
  Be  Be0  8  0.0000  0.0000  0.1629  1.0
  Al  Al1  4  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  16  0.0000  0.1536  0.3264  1.0
  Cu  Cu3  8  0.0000  0.1644  0.0000  1.0
]