# generated using pymatgen
data_LuAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49251222
_cell_length_b   5.71793401
_cell_length_c   11.13312532
_cell_angle_alpha   90.00029494
_cell_angle_beta   90.00000587
_cell_angle_gamma   89.99997730
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuAl
_chemical_formula_sum   'Lu8 Al8'
_cell_volume   349.64495681
_cell_formula_units_Z   8
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  0.25000020  0.39549437  0.33070574  1.0
  Lu  Lu1  1  0.74999980  0.60450563  0.66929426  1.0
  Lu  Lu2  1  0.74999970  0.39550729  0.16918212  1.0
  Lu  Lu3  1  0.25000030  0.60449271  0.83081788  1.0
  Lu  Lu4  1  0.24999985  0.15868857  0.01739320  1.0
  Lu  Lu5  1  0.75000015  0.84131143  0.98260680  1.0
  Lu  Lu6  1  0.75000045  0.15871918  0.48260013  1.0
  Lu  Lu7  1  0.24999955  0.84128082  0.51739987  1.0
  Al  Al8  1  -0.00000165  0.92938226  0.24996401  1.0
  Al  Al9  1  0.49999796  0.07061803  0.75003596  1.0
  Al  Al10  1  0.00000165  0.07061774  0.75003599  1.0
  Al  Al11  1  0.50000204  0.92938197  0.24996404  1.0
  Al  Al12  1  0.25000036  0.65656277  0.09638804  1.0
  Al  Al13  1  0.74999964  0.34343723  0.90361196  1.0
  Al  Al14  1  0.75000094  0.65654425  0.40357228  1.0
  Al  Al15  1  0.24999906  0.34345575  0.59642772  1.0