data_[Be2Al2Cu8]
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 [Amm2]
_cell_length_a [3.8236]
_cell_length_b [3.2463]
_cell_length_c [11.3467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [BeAlCu4]
_chemical_formula_sum '[Be2 Al2 Cu8]'
_cell_volume [140.8395]
_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
[
  Be  Be0  2  0.5000  0.0000  0.8354  1
  Al  Al1  2  0.0000  0.0000  0.6616  1
  Cu  Cu2  2  0.0000  0.0000  0.3294  1
  Cu  Cu3  2  0.0000  0.0000  0.9936  1
  Cu  Cu4  2  0.5000  0.0000  0.1745  1
  Cu  Cu5  2  0.5000  0.0000  0.4910  1
]