# generated using pymatgen
data_LiAlB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32147800
_cell_length_b   5.90027500
_cell_length_c   11.33280100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlB4
_chemical_formula_sum   'Li4 Al4 B16'
_cell_volume   222.09608173
_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
  Li  Li0  1  0.00000000  0.37266000  0.14980400  1
  Li  Li1  1  0.00000000  0.62734000  0.85019600  1
  Li  Li2  1  0.00000000  0.12734000  0.64980400  1
  Li  Li3  1  0.00000000  0.87266000  0.35019600  1
  Al  Al4  1  0.00000000  0.85678300  0.09257300  1
  Al  Al5  1  0.00000000  0.14321700  0.90742700  1
  Al  Al6  1  0.00000000  0.64321700  0.59257300  1
  Al  Al7  1  0.00000000  0.35678300  0.40742700  1
  B  B8  1  0.50000000  0.01910700  0.19694800  1
  B  B9  1  0.50000000  0.98089300  0.80305200  1
  B  B10  1  0.50000000  0.48089300  0.69694800  1
  B  B11  1  0.50000000  0.51910700  0.30305200  1
  B  B12  1  0.50000000  0.11642600  0.04998600  1
  B  B13  1  0.50000000  0.88357400  0.95001400  1
  B  B14  1  0.50000000  0.38357400  0.54998600  1
  B  B15  1  0.50000000  0.61642600  0.45001400  1
  B  B16  1  0.50000000  0.63192000  0.02861800  1
  B  B17  1  0.50000000  0.36808000  0.97138200  1
  B  B18  1  0.50000000  0.86808000  0.52861800  1
  B  B19  1  0.50000000  0.13192000  0.47138200  1
  B  B20  1  0.50000000  0.69796400  0.18671400  1
  B  B21  1  0.50000000  0.30203600  0.81328600  1
  B  B22  1  0.50000000  0.80203600  0.68671400  1
  B  B23  1  0.50000000  0.19796400  0.31328600  1
