# generated using pymatgen
data_LuAlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28345595
_cell_length_b   5.28348820
_cell_length_c   8.57837783
_cell_angle_alpha   89.99986003
_cell_angle_beta   90.00002503
_cell_angle_gamma   60.51605497
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuAlFe
_chemical_formula_sum   'Lu4 Al4 Fe4'
_cell_volume   208.45370012
_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  0.33269659  0.33269586  0.55270266  1.0
  Lu  Lu1  1  0.66886389  0.66886712  0.42621611  1.0
  Lu  Lu2  1  0.66886777  0.66886678  0.07377562  1.0
  Lu  Lu3  1  0.33269801  0.33269390  0.94729479  1.0
  Al  Al4  1  0.99561593  0.99561714  0.48822057  1.0
  Al  Al5  1  0.99561717  0.99561564  0.01178798  1.0
  Al  Al6  1  0.83403112  0.34288884  0.74999537  1.0
  Al  Al7  1  0.34288297  0.83402952  0.74999851  1.0
  Fe  Fe8  1  0.83571271  0.83570875  0.75000199  1.0
  Fe  Fe9  1  0.17569880  0.64401691  0.25000258  1.0
  Fe  Fe10  1  0.64401746  0.17569927  0.25000202  1.0
  Fe  Fe11  1  0.17329857  0.17330027  0.25000180  1.0