# generated using pymatgen
data_La6Al4Fe9As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16245800
_cell_length_b   8.16245800
_cell_length_c   13.22960442
_cell_angle_alpha   107.96838341
_cell_angle_beta   107.96838341
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La6Al4Fe9As
_chemical_formula_sum   'La12 Al8 Fe18 As2'
_cell_volume   793.12477055
_cell_formula_units_Z   2
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
  La  La0  1  0.10537500  0.10537500  0.21074900  1.0
  La  La1  1  0.89462500  0.89462500  0.78925100  1.0
  La  La2  1  0.39462500  0.39462500  0.78925100  1.0
  La  La3  1  0.60537500  0.60537500  0.21074900  1.0
  La  La4  1  0.35594900  0.85594900  0.37831100  1.0
  La  La5  1  0.64405100  0.14405100  0.62168900  1.0
  La  La6  1  0.02236100  0.52236100  0.37831100  1.0
  La  La7  1  0.52236100  0.35594900  0.37831100  1.0
  La  La8  1  0.14405100  0.97763900  0.62168900  1.0
  La  La9  1  0.97763900  0.47763900  0.62168900  1.0
  La  La10  1  0.47763900  0.64405100  0.62168900  1.0
  La  La11  1  0.85594900  0.02236100  0.37831100  1.0
  Al  Al12  1  0.70960000  0.20960000  0.18253200  1.0
  Al  Al13  1  0.29040000  0.79040000  0.81746800  1.0
  Al  Al14  1  0.47293200  0.97293200  0.18253200  1.0
  Al  Al15  1  0.97293200  0.70960000  0.18253200  1.0
  Al  Al16  1  0.79040000  0.52706800  0.81746800  1.0
  Al  Al17  1  0.52706800  0.02706800  0.81746800  1.0
  Al  Al18  1  0.02706800  0.29040000  0.81746800  1.0
  Al  Al19  1  0.20960000  0.47293200  0.18253200  1.0
  Fe  Fe20  1  0.06735800  0.21096600  0.00000000  1.0
  Fe  Fe21  1  0.93264200  0.78903400  0.00000000  1.0
  Fe  Fe22  1  0.78903400  0.06735800  0.00000000  1.0
  Fe  Fe23  1  0.43264200  0.71096600  0.00000000  1.0
  Fe  Fe24  1  0.21096600  0.93264200  0.00000000  1.0
  Fe  Fe25  1  0.56735800  0.28903400  0.00000000  1.0
  Fe  Fe26  1  0.71096600  0.56735800  0.00000000  1.0
  Fe  Fe27  1  0.28903400  0.43264200  0.00000000  1.0
  Fe  Fe28  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe29  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe30  1  0.23178400  0.73178400  0.11137400  1.0
  Fe  Fe31  1  0.76821600  0.26821600  0.88862600  1.0
  Fe  Fe32  1  0.87959100  0.37959100  0.11137400  1.0
  Fe  Fe33  1  0.37959100  0.23178400  0.11137400  1.0
  Fe  Fe34  1  0.26821600  0.12040900  0.88862600  1.0
  Fe  Fe35  1  0.12040900  0.62040900  0.88862600  1.0
  Fe  Fe36  1  0.62040900  0.76821600  0.88862600  1.0
  Fe  Fe37  1  0.73178400  0.87959100  0.11137400  1.0
  As  As38  1  0.25000000  0.25000000  0.50000000  1.0
  As  As39  1  0.75000000  0.75000000  0.50000000  1.0