# generated using pymatgen
data_LuAlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31453833
_cell_length_b   5.31453833
_cell_length_c   8.46067700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.17547917
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuAlFe
_chemical_formula_sum   'Lu4 Al4 Fe4'
_cell_volume   206.58375952
_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  0.33303600  0.66696400  0.18429300  1.0
  Lu  Lu1  1  0.66297000  0.33703000  0.30005200  1.0
  Lu  Lu2  1  0.66297000  0.33703000  0.69994800  1.0
  Lu  Lu3  1  0.33303600  0.66696400  0.81570700  1.0
  Al  Al4  1  0.83473700  0.16526300  0.00000000  1.0
  Al  Al5  1  0.16337400  0.32701900  0.50000000  1.0
  Al  Al6  1  0.67298100  0.83662600  0.50000000  1.0
  Al  Al7  1  0.16484600  0.83515400  0.50000000  1.0
  Fe  Fe8  1  0.00662800  0.99337200  0.23904100  1.0
  Fe  Fe9  1  0.00662800  0.99337200  0.76095900  1.0
  Fe  Fe10  1  0.83038900  0.67170800  0.00000000  1.0
  Fe  Fe11  1  0.32829200  0.16961100  0.00000000  1.0