# generated using pymatgen
data_FeCo2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29500000
_cell_length_b   6.97000000
_cell_length_c   4.93800000
_cell_angle_alpha   89.99200000
_cell_angle_beta   90.39600000
_cell_angle_gamma   89.99500000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2S
_chemical_formula_sum   'Fe4 Co8 S4'
_cell_volume   182.23821347
_cell_formula_units_Z   4
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
  S  S0  1  0.94584000  0.99865000  0.96844000  1
  S  S1  1  0.61284000  0.00376000  0.46286000  1
  S  S2  1  0.44919000  0.50365000  0.76310000  1
  S  S3  1  0.11488000  0.49795000  0.27086000  1
  Co  Co4  1  0.43295000  0.30799000  0.38311000  1
  Co  Co5  1  0.63240000  0.19468000  0.84500000  1
  Co  Co6  1  0.93726000  0.19467000  0.34627000  1
  Co  Co7  1  0.63142000  0.80844000  0.84619000  1
  Co  Co8  1  0.42925000  0.69370000  0.38696000  1
  Co  Co9  1  0.12854000  0.69677000  0.88219000  1
  Co  Co10  1  0.82508000  0.49782000  0.58781000  1
  Co  Co11  1  0.32635000  0.99927000  0.14477000  1
  Fe  Fe12  1  0.13309000  0.30220000  0.88294000  1
  Fe  Fe13  1  0.93060000  0.80094000  0.34964000  1
  Fe  Fe14  1  0.23519000  0.99874000  0.64534000  1
  Fe  Fe15  1  0.73485000  0.50067000  0.08629000  1
