data_[Li2Al7Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7939]
_cell_length_b [4.8749]
_cell_length_c [8.9021]
_cell_angle_alpha [77.6558]
_cell_angle_beta [88.0997]
_cell_angle_gamma [62.0171]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2Al7Cu2]
_chemical_formula_sum '[Li2 Al7 Cu2]'
_cell_volume [178.9227]
_cell_formula_units_Z [1]
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
[
  Li  Li0  2  0.3377  0.3310  0.9887  1.0
  Al  Al1  2  0.1340  0.5254  0.2570  1.0
  Al  Al2  2  0.2292  0.8087  0.7395  1.0
  Al  Al3  2  0.4787  0.8009  0.3840  1.0
  Al  Al4  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu5  2  0.0041  0.7493  0.4975  1.0
]