# generated using pymatgen
data_FeCo2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94500000
_cell_length_b   6.96200000
_cell_length_c   5.29300000
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.37700000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2S
_chemical_formula_sum   'Fe4 Co8 S4'
_cell_volume   182.21181531
_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  0.97224000  0.00000000  0.95129000  1
  S  S1  1  0.27056000  0.50000000  0.11314000  1
  S  S2  1  0.76236000  0.50000000  0.44454000  1
  S  S3  1  0.45615000  0.00000000  0.61217000  1
  Co  Co4  1  0.34900000  0.80735000  0.93179000  1
  Co  Co5  1  0.34900000  0.19265000  0.93179000  1
  Co  Co6  1  0.88469000  0.69304000  0.13002000  1
  Co  Co7  1  0.88469000  0.30696000  0.13002000  1
  Co  Co8  1  0.38678000  0.69357000  0.43280000  1
  Co  Co9  1  0.38678000  0.30643000  0.43280000  1
  Co  Co10  1  0.13876000  0.00000000  0.32888000  1
  Co  Co11  1  0.58727000  0.50000000  0.82574000  1
  Fe  Fe12  1  0.84743000  0.80000000  0.63350000  1
  Fe  Fe13  1  0.84743000  0.20000000  0.63350000  1
  Fe  Fe14  1  0.08773000  0.50000000  0.73472000  1
  Fe  Fe15  1  0.64111000  0.00000000  0.23276000  1
