# generated using pymatgen
data_Fe12As5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75400599
_cell_length_b   6.75400599
_cell_length_c   16.18693575
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe12As5
_chemical_formula_sum   'Fe36 As15'
_cell_volume   639.46702961
_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
  Fe  Fe0  1  0.42980500  0.33333300  0.83333300  1
  Fe  Fe1  1  0.90352900  0.57019500  0.83333300  1
  Fe  Fe2  1  0.66666700  0.09647100  0.83333300  1
  Fe  Fe3  1  0.31024800  0.90972100  0.91462000  1
  Fe  Fe4  1  0.59947300  0.68975200  0.91462000  1
  Fe  Fe5  1  0.66666700  0.33333300  0.71552200  1
  Fe  Fe6  1  0.66666700  0.33333300  0.95114500  1
  Fe  Fe7  1  0.66666700  0.33333300  0.33333300  1
  Fe  Fe8  1  0.40052700  0.09027900  0.08538000  1
  Fe  Fe9  1  0.90972100  0.31024800  0.08538000  1
  Fe  Fe10  1  0.68975200  0.59947300  0.08538000  1
  Fe  Fe11  1  0.09027900  0.40052700  0.91462000  1
  Fe  Fe12  1  0.09647100  0.66666700  0.16666700  1
  Fe  Fe13  1  0.57019500  0.90352900  0.16666700  1
  Fe  Fe14  1  0.33333300  0.42980500  0.16666700  1
  Fe  Fe15  1  0.97691500  0.24305400  0.24795400  1
  Fe  Fe16  1  0.26613900  0.02308500  0.24795400  1
  Fe  Fe17  1  0.33333300  0.66666700  0.04885500  1
  Fe  Fe18  1  0.33333300  0.66666700  0.28447800  1
  Fe  Fe19  1  0.33333300  0.66666700  0.66666700  1
  Fe  Fe20  1  0.06719400  0.42361300  0.41871300  1
  Fe  Fe21  1  0.57638700  0.64358100  0.41871300  1
  Fe  Fe22  1  0.35641900  0.93280600  0.41871300  1
  Fe  Fe23  1  0.75694600  0.73386100  0.24795400  1
  Fe  Fe24  1  0.76313800  0.00000000  0.50000000  1
  Fe  Fe25  1  0.23686200  0.23686200  0.50000000  1
  Fe  Fe26  1  0.00000000  0.76313800  0.50000000  1
  Fe  Fe27  1  0.64358100  0.57638700  0.58128700  1
  Fe  Fe28  1  0.93280600  0.35641900  0.58128700  1
  Fe  Fe29  1  0.00000000  0.00000000  0.38218800  1
  Fe  Fe30  1  0.00000000  0.00000000  0.61781200  1
  Fe  Fe31  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe32  1  0.73386100  0.75694600  0.75204600  1
  Fe  Fe33  1  0.24305400  0.97691500  0.75204600  1
  Fe  Fe34  1  0.02308500  0.26613900  0.75204600  1
  Fe  Fe35  1  0.42361300  0.06719400  0.58128700  1
  As  As36  1  0.34596700  0.34596700  0.00000000  1
  As  As37  1  0.00000000  0.65403300  0.00000000  1
  As  As38  1  0.65403300  0.00000000  0.00000000  1
  As  As39  1  0.66666700  0.33333300  0.18964000  1
  As  As40  1  0.66666700  0.33333300  0.47702700  1
  As  As41  1  0.01263300  0.67930000  0.33333300  1
  As  As42  1  0.66666700  0.98736700  0.33333300  1
  As  As43  1  0.32070000  0.33333300  0.33333300  1
  As  As44  1  0.33333300  0.66666700  0.52297300  1
  As  As45  1  0.33333300  0.66666700  0.81036000  1
  As  As46  1  0.67930000  0.01263300  0.66666700  1
  As  As47  1  0.33333300  0.32070000  0.66666700  1
  As  As48  1  0.98736700  0.66666700  0.66666700  1
  As  As49  1  0.00000000  0.00000000  0.85630600  1
  As  As50  1  0.00000000  0.00000000  0.14369400  1
