# generated using pymatgen
data_Fe7S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58204992
_cell_length_b   6.58204992
_cell_length_c   15.56692463
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7S8
_chemical_formula_sum   'Fe21 S24'
_cell_volume   584.05775927
_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  0.41027200  0.42507800  0.14651100  1
  Fe  Fe1  1  0.08349800  0.00000000  0.33333300  1
  Fe  Fe2  1  0.01480700  0.58972800  0.81317800  1
  Fe  Fe3  1  0.48332300  0.94815400  0.01482000  1
  Fe  Fe4  1  0.00000000  0.43913600  0.16666700  1
  Fe  Fe5  1  0.43913600  0.00000000  0.83333300  1
  Fe  Fe6  1  0.58972800  0.01480700  0.18682200  1
  Fe  Fe7  1  0.00000000  0.01883500  0.16666700  1
  Fe  Fe8  1  0.57492200  0.98519300  0.47984400  1
  Fe  Fe9  1  0.42507800  0.41027200  0.85348900  1
  Fe  Fe10  1  0.91650200  0.91650200  0.00000000  1
  Fe  Fe11  1  0.05184600  0.53516900  0.34815400  1
  Fe  Fe12  1  0.46483100  0.51667700  0.68148700  1
  Fe  Fe13  1  0.98519300  0.57492200  0.52015600  1
  Fe  Fe14  1  0.98116500  0.98116500  0.50000000  1
  Fe  Fe15  1  0.00000000  0.08349800  0.66666700  1
  Fe  Fe16  1  0.51667700  0.46483100  0.31851300  1
  Fe  Fe17  1  0.56086400  0.56086400  0.50000000  1
  Fe  Fe18  1  0.94815400  0.48332300  0.98518000  1
  Fe  Fe19  1  0.53516900  0.05184600  0.65184600  1
  Fe  Fe20  1  0.01883500  0.00000000  0.83333300  1
  S  S21  1  0.21618200  0.85175300  0.42817200  1
  S  S22  1  0.34599200  0.21151100  0.58589800  1
  S  S23  1  0.35154000  0.64959500  0.24625000  1
  S  S24  1  0.14824700  0.36442900  0.76150600  1
  S  S25  1  0.29805500  0.64846000  0.91291600  1
  S  S26  1  0.70194500  0.35040500  0.42041700  1
  S  S27  1  0.35040500  0.70194500  0.57958300  1
  S  S28  1  0.65400800  0.86551900  0.74743500  1
  S  S29  1  0.63557100  0.78381800  0.09483900  1
  S  S30  1  0.13448100  0.78848900  0.08076900  1
  S  S31  1  0.64846000  0.29805500  0.08708400  1
  S  S32  1  0.85175300  0.21618200  0.57182800  1
  S  S33  1  0.70735200  0.82618800  0.39730800  1
  S  S34  1  0.86551900  0.65400800  0.25256500  1
  S  S35  1  0.78848900  0.13448100  0.91923100  1
  S  S36  1  0.82618800  0.70735200  0.60269200  1
  S  S37  1  0.36442900  0.14824700  0.23849400  1
  S  S38  1  0.11883600  0.29264800  0.06397500  1
  S  S39  1  0.78381800  0.63557100  0.90516100  1
  S  S40  1  0.29264800  0.11883600  0.93602500  1
  S  S41  1  0.17381200  0.88116400  0.73064100  1
  S  S42  1  0.21151100  0.34599200  0.41410200  1
  S  S43  1  0.64959500  0.35154000  0.75375000  1
  S  S44  1  0.88116400  0.17381200  0.26935900  1
