# generated using pymatgen
data_Zr3AlFe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92199079
_cell_length_b   4.92199079
_cell_length_c   24.12423631
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3AlFe8
_chemical_formula_sum   'Zr9 Al3 Fe24'
_cell_volume   506.13433412
_cell_formula_units_Z   3
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  0.00000000  0.00000000  0.00378900  1
  Zr  Zr1  1  0.66666700  0.33333300  0.33712200  1
  Zr  Zr2  1  0.33333300  0.66666700  0.67045600  1
  Zr  Zr3  1  0.00000000  0.00000000  0.49690100  1
  Zr  Zr4  1  0.66666700  0.33333300  0.83023400  1
  Zr  Zr5  1  0.33333300  0.66666700  0.16356800  1
  Zr  Zr6  1  0.00000000  0.00000000  0.62453100  1
  Zr  Zr7  1  0.66666700  0.33333300  0.95786400  1
  Zr  Zr8  1  0.33333300  0.66666700  0.29119800  1
  Al  Al9  1  0.00000000  0.00000000  0.12557900  1
  Al  Al10  1  0.66666700  0.33333300  0.45891200  1
  Al  Al11  1  0.33333300  0.66666700  0.79224600  1
  Fe  Fe12  1  0.16688800  0.33377600  0.39697100  1
  Fe  Fe13  1  0.66622400  0.83311200  0.39697100  1
  Fe  Fe14  1  0.16688800  0.83311200  0.39697100  1
  Fe  Fe15  1  0.83355500  0.66710900  0.73030400  1
  Fe  Fe16  1  0.33289100  0.16644500  0.73030400  1
  Fe  Fe17  1  0.83355500  0.16644500  0.73030400  1
  Fe  Fe18  1  0.50022100  0.00044300  0.06363800  1
  Fe  Fe19  1  0.99955700  0.49977900  0.06363800  1
  Fe  Fe20  1  0.50022100  0.49977900  0.06363800  1
  Fe  Fe21  1  0.16794200  0.33588300  0.89449200  1
  Fe  Fe22  1  0.66411700  0.83205900  0.89449200  1
  Fe  Fe23  1  0.16794100  0.83205800  0.89449200  1
  Fe  Fe24  1  0.83460900  0.66921600  0.22782500  1
  Fe  Fe25  1  0.33078400  0.16539200  0.22782500  1
  Fe  Fe26  1  0.83460800  0.16539100  0.22782500  1
  Fe  Fe27  1  0.50127500  0.00255000  0.56115900  1
  Fe  Fe28  1  0.99745000  0.49872600  0.56115900  1
  Fe  Fe29  1  0.50127400  0.49872500  0.56115900  1
  Fe  Fe30  1  0.00000000  0.00000000  0.31250700  1
  Fe  Fe31  1  0.66666700  0.33333300  0.64584000  1
  Fe  Fe32  1  0.33333300  0.66666700  0.97917400  1
  Fe  Fe33  1  0.00000000  0.00000000  0.81230300  1
  Fe  Fe34  1  0.66666700  0.33333300  0.14563600  1
  Fe  Fe35  1  0.33333300  0.66666700  0.47897000  1
