# generated using pymatgen
data_YAlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31676853
_cell_length_b   5.31672014
_cell_length_c   8.73798100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.91160635
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlFe
_chemical_formula_sum   'Y4 Al4 Fe4'
_cell_volume   215.84889954
_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
  Y  Y0  1  0.33373200  0.33372600  0.55517300  1.0
  Y  Y1  1  0.66887600  0.66887600  0.42692000  1.0
  Y  Y2  1  0.66887600  0.66887600  0.07308000  1.0
  Y  Y3  1  0.33373200  0.33372600  0.94482700  1.0
  Al  Al4  1  0.99477900  0.99477400  0.48576100  1.0
  Al  Al5  1  0.99477900  0.99477400  0.01423900  1.0
  Al  Al6  1  0.83358400  0.34012200  0.75000000  1.0
  Al  Al7  1  0.34012300  0.83357800  0.75000000  1.0
  Fe  Fe8  1  0.83279300  0.83279100  0.75000000  1.0
  Fe  Fe9  1  0.17941000  0.64627700  0.25000000  1.0
  Fe  Fe10  1  0.64626600  0.17943700  0.25000000  1.0
  Fe  Fe11  1  0.17305000  0.17304400  0.25000000  1.0