# generated using pymatgen
data_Fe3Co3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.66000000
_cell_length_b   3.55500000
_cell_length_c   5.93100000
_cell_angle_alpha   90.00000000
_cell_angle_beta   81.22300000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Co3S2
_chemical_formula_sum   'Fe6 Co6 S4'
_cell_volume   201.29311979
_cell_formula_units_Z   2
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  0.00521000  0.00000000  0.01937000  1
  Fe  Fe1  1  0.89234000  0.00000000  0.66066000  1
  Fe  Fe2  1  0.93052000  0.50000000  0.34168000  1
  Fe  Fe3  1  0.61235000  0.00000000  0.88492000  1
  Fe  Fe4  1  0.29241000  0.50000000  0.44212000  1
  Fe  Fe5  1  0.33041000  0.00000000  0.11641000  1
  Co  Co6  1  0.11334000  0.00000000  0.39259000  1
  Co  Co7  1  0.82606000  0.50000000  0.95853000  1
  Co  Co8  1  0.16575000  0.50000000  0.06884000  1
  Co  Co9  1  0.06091000  0.50000000  0.70483000  1
  Co  Co10  1  0.39788000  0.50000000  0.82204000  1
  Co  Co11  1  0.22370000  0.00000000  0.75783000  1
  S  S12  1  0.48443000  0.50000000  0.14093000  1
  S  S13  1  0.73793000  0.50000000  0.64235000  1
  S  S14  1  0.76848000  0.00000000  0.16849000  1
  S  S15  1  0.45557000  0.00000000  0.61476000  1
