# generated using pymatgen
data_FeCo2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97100000
_cell_length_b   4.93500000
_cell_length_c   8.80502000
_cell_angle_alpha   90.00000000
_cell_angle_beta   37.03007000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2S
_chemical_formula_sum   'Fe4 Co8 S4'
_cell_volume   182.42229502
_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  0.95393000  0.90831000  0.05024000  1
  S  S1  1  0.95393000  0.09169000  0.55024000  1
  S  S2  1  0.61312000  0.60434000  0.88548000  1
  S  S3  1  0.61312000  0.39566000  0.38548000  1
  Co  Co4  1  0.43916000  0.01459000  0.36835000  1
  Co  Co5  1  0.43916000  0.98541000  0.86835000  1
  Co  Co6  1  0.12865000  0.48054000  0.56776000  1
  Co  Co7  1  0.12865000  0.51946000  0.06776000  1
  Co  Co8  1  0.82311000  0.97975000  0.87080000  1
  Co  Co9  1  0.82311000  0.02025000  0.37080000  1
  Co  Co10  1  0.23338000  0.22408000  0.76486000  1
  Co  Co11  1  0.23338000  0.77592000  0.26486000  1
  Fe  Fe12  1  0.73176000  0.51846000  0.06974000  1
  Fe  Fe13  1  0.73176000  0.48154000  0.56974000  1
  Fe  Fe14  1  0.32669000  0.27669000  0.17305000  1
  Fe  Fe15  1  0.32669000  0.72331000  0.67305000  1
