# generated using pymatgen
data_ZrAlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13145530
_cell_length_b   5.12492022
_cell_length_c   8.32133900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.88873053
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlFe
_chemical_formula_sum   'Zr4 Al4 Fe4'
_cell_volume   191.19280874
_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
  Zr  Zr0  1  0.33518200  0.33392100  0.54937800  1.0
  Zr  Zr1  1  0.67143400  0.67019000  0.42605400  1.0
  Zr  Zr2  1  0.67143400  0.67019000  0.07394600  1.0
  Zr  Zr3  1  0.33518200  0.33392100  0.95062200  1.0
  Al  Al4  1  0.99437700  0.99586100  0.48547100  1.0
  Al  Al5  1  0.99437700  0.99586100  0.01452900  1.0
  Al  Al6  1  0.83355800  0.34319300  0.75000000  1.0
  Al  Al7  1  0.34441000  0.83403300  0.75000000  1.0
  Fe  Fe8  1  0.83535200  0.83265400  0.75000000  1.0
  Fe  Fe9  1  0.17451100  0.64075800  0.25000000  1.0
  Fe  Fe10  1  0.64124900  0.17666800  0.25000000  1.0
  Fe  Fe11  1  0.16893600  0.17275000  0.25000000  1.0