# generated using pymatgen
data_LuAlB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49296710
_cell_length_b   5.88374911
_cell_length_c   11.40621195
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuAlB4
_chemical_formula_sum   'Lu4 Al4 B16'
_cell_volume   234.41752595
_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
  Lu  Lu0  1  -0.00000000  0.37031982  0.65017970  1.0
  Lu  Lu1  1  0.00000000  0.62968018  0.34982030  1.0
  Lu  Lu2  1  -0.00000000  0.87031982  0.84982030  1.0
  Lu  Lu3  1  0.00000000  0.12968018  0.15017970  1.0
  Al  Al4  1  -0.00000000  0.36186820  0.91003176  1.0
  Al  Al5  1  -0.00000000  0.63813180  0.08996824  1.0
  Al  Al6  1  0.00000000  0.86186820  0.58996824  1.0
  Al  Al7  1  -0.00000000  0.13813180  0.41003176  1.0
  B  B8  1  0.50000000  0.02538752  0.69324345  1.0
  B  B9  1  0.50000000  0.97461248  0.30675655  1.0
  B  B10  1  0.50000000  0.52538752  0.80675655  1.0
  B  B11  1  0.50000000  0.47461248  0.19324345  1.0
  B  B12  1  0.50000000  0.11454434  0.54761189  1.0
  B  B13  1  0.50000000  0.88545566  0.45238811  1.0
  B  B14  1  0.50000000  0.61454434  0.95238811  1.0
  B  B15  1  0.50000000  0.38545566  0.04761189  1.0
  B  B16  1  0.50000000  0.29121247  0.31269129  1.0
  B  B17  1  0.50000000  0.70878753  0.68730871  1.0
  B  B18  1  0.50000000  0.79121247  0.18730871  1.0
  B  B19  1  0.50000000  0.20878753  0.81269129  1.0
  B  B20  1  0.50000000  0.36738657  0.46942396  1.0
  B  B21  1  0.50000000  0.63261343  0.53057604  1.0
  B  B22  1  0.50000000  0.86738657  0.03057604  1.0
  B  B23  1  0.50000000  0.13261343  0.96942396  1.0