# generated using pymatgen
data_LuAlB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48712399
_cell_length_b   5.88162239
_cell_length_c   5.88162239
_cell_angle_alpha   103.74119244
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuAlB4
_chemical_formula_sum   'Lu2 Al2 B8'
_cell_volume   117.17911035
_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
  Lu  Lu0  1  0.00000000  0.69984886  0.30015014  1.0
  Lu  Lu1  1  -0.00000000  0.30015014  0.69984886  1.0
  Al  Al2  1  -0.00000000  0.18029135  0.18029135  1.0
  Al  Al3  1  -0.00000000  0.81970965  0.81970965  1.0
  B  B4  1  0.49999900  0.38270726  0.06287657  1.0
  B  B5  1  0.49999900  0.90698580  0.09301320  1.0
  B  B6  1  0.49999900  0.37918595  0.37918595  1.0
  B  B7  1  0.49999900  0.06287657  0.38270726  1.0
  B  B8  1  0.49999900  0.93712443  0.61729274  1.0
  B  B9  1  0.49999900  0.62081505  0.62081505  1.0
  B  B10  1  0.49999900  0.09301320  0.90698580  1.0
  B  B11  1  0.49999900  0.61729274  0.93712443  1.0