# generated using pymatgen
data_Fe12Ge3As2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84609700
_cell_length_b   6.84609700
_cell_length_c   16.01791950
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe12Ge3As2
_chemical_formula_sum   'Fe36 Ge9 As6'
_cell_volume   650.16387454
_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  0.02312900  0.27540700  0.75140600  1
  Fe  Fe1  1  0.72459300  0.74772200  0.75140600  1
  Fe  Fe2  1  0.25227800  0.97687100  0.75140600  1
  Fe  Fe3  1  0.74772200  0.72459300  0.24859400  1
  Fe  Fe4  1  0.97687100  0.25227800  0.24859400  1
  Fe  Fe5  1  0.27540700  0.02312900  0.24859400  1
  Fe  Fe6  1  0.68979600  0.60874000  0.08473900  1
  Fe  Fe7  1  0.39126000  0.08105500  0.08473900  1
  Fe  Fe8  1  0.91894500  0.31020400  0.08473900  1
  Fe  Fe9  1  0.41438900  0.05792600  0.58192700  1
  Fe  Fe10  1  0.64353800  0.58561100  0.58192700  1
  Fe  Fe11  1  0.94207400  0.35646200  0.58192700  1
  Fe  Fe12  1  0.35646200  0.94207400  0.41807300  1
  Fe  Fe13  1  0.05792600  0.41438900  0.41807300  1
  Fe  Fe14  1  0.58561100  0.64353800  0.41807300  1
  Fe  Fe15  1  0.08105500  0.39126000  0.91526100  1
  Fe  Fe16  1  0.31020400  0.91894500  0.91526100  1
  Fe  Fe17  1  0.60874000  0.68979600  0.91526100  1
  Fe  Fe18  1  -0.00000000  0.76032800  0.50000000  1
  Fe  Fe19  1  0.23967200  0.23967200  0.50000000  1
  Fe  Fe20  1  0.76032800  0.00000000  0.50000000  1
  Fe  Fe21  1  0.66666700  0.09366100  0.83333300  1
  Fe  Fe22  1  0.90633900  0.57300500  0.83333300  1
  Fe  Fe23  1  0.42699500  0.33333300  0.83333300  1
  Fe  Fe24  1  0.33333300  0.42699500  0.16666700  1
  Fe  Fe25  1  0.57300500  0.90633900  0.16666700  1
  Fe  Fe26  1  0.09366100  0.66666700  0.16666700  1
  Fe  Fe27  1  0.00000000  0.00000000  0.38512900  1
  Fe  Fe28  1  0.00000000  0.00000000  0.61487100  1
  Fe  Fe29  1  0.66666700  0.33333300  0.71846200  1
  Fe  Fe30  1  0.66666700  0.33333300  0.94820400  1
  Fe  Fe31  1  0.33333300  0.66666700  0.05179600  1
  Fe  Fe32  1  0.33333300  0.66666700  0.28153800  1
  Fe  Fe33  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe34  1  0.66666700  0.33333300  0.33333300  1
  Fe  Fe35  1  0.33333300  0.66666700  0.66666700  1
  Ge  Ge36  1  0.00000000  0.65280200  0.00000000  1
  Ge  Ge37  1  0.34719800  0.34719800  0.00000000  1
  Ge  Ge38  1  0.65280200  0.00000000  0.00000000  1
  Ge  Ge39  1  0.66666700  0.98613500  0.33333300  1
  Ge  Ge40  1  0.01386500  0.68053100  0.33333300  1
  Ge  Ge41  1  0.31946900  0.33333300  0.33333300  1
  Ge  Ge42  1  0.33333300  0.31946900  0.66666700  1
  Ge  Ge43  1  0.68053100  0.01386500  0.66666700  1
  Ge  Ge44  1  0.98613500  0.66666700  0.66666700  1
  As  As45  1  0.00000000  0.00000000  0.85445200  1
  As  As46  1  0.00000000  0.00000000  0.14554800  1
  As  As47  1  0.66666700  0.33333300  0.18778500  1
  As  As48  1  0.66666700  0.33333300  0.47888100  1
  As  As49  1  0.33333300  0.66666700  0.52111900  1
  As  As50  1  0.33333300  0.66666700  0.81221500  1
