# generated using pymatgen
data_Fe3Co3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.55781000
_cell_length_b   3.47000000
_cell_length_c   8.43100000
_cell_angle_alpha   90.00000000
_cell_angle_beta   81.86426000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Co3S2
_chemical_formula_sum   'Fe12 Co12 S8'
_cell_volume   392.64949074
_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
  Fe  Fe0  1  0.02052000  0.00000000  0.04393000  1
  Fe  Fe1  1  0.52052000  0.50000000  0.04393000  1
  Fe  Fe2  1  0.62896000  0.00000000  0.21270000  1
  Fe  Fe3  1  0.12896000  0.50000000  0.21270000  1
  Fe  Fe4  1  0.29326000  0.00000000  0.79064000  1
  Fe  Fe5  1  0.79326000  0.50000000  0.79064000  1
  Fe  Fe6  1  0.10516000  0.00000000  0.71350000  1
  Fe  Fe7  1  0.60516000  0.50000000  0.71350000  1
  Fe  Fe8  1  0.00370000  0.00000000  0.35836000  1
  Fe  Fe9  1  0.50370000  0.50000000  0.35836000  1
  Fe  Fe10  1  0.36090000  0.00000000  0.46549000  1
  Fe  Fe11  1  0.86090000  0.50000000  0.46549000  1
  Co  Co12  1  0.54854000  0.00000000  0.53626000  1
  Co  Co13  1  0.04854000  0.50000000  0.53626000  1
  Co  Co14  1  0.17063000  0.00000000  0.43149000  1
  Co  Co15  1  0.67063000  0.50000000  0.43149000  1
  Co  Co16  1  0.48393000  0.00000000  0.81987000  1
  Co  Co17  1  0.98393000  0.50000000  0.81987000  1
  Co  Co18  1  0.92164000  0.00000000  0.63768000  1
  Co  Co19  1  0.42164000  0.50000000  0.63768000  1
  Co  Co20  1  0.73231000  0.00000000  0.61379000  1
  Co  Co21  1  0.23231000  0.50000000  0.61379000  1
  Co  Co22  1  0.64898000  0.00000000  0.89663000  1
  Co  Co23  1  0.14898000  0.50000000  0.89663000  1
  S  S24  1  0.46099000  0.00000000  0.20100000  1
  S  S25  1  0.96099000  0.50000000  0.20100000  1
  S  S26  1  0.18821000  0.00000000  0.03666000  1
  S  S27  1  0.68821000  0.50000000  0.03666000  1
  S  S28  1  0.76220000  0.00000000  0.34477000  1
  S  S29  1  0.26220000  0.50000000  0.34477000  1
  S  S30  1  0.89149000  0.00000000  0.90444000  1
  S  S31  1  0.39149000  0.50000000  0.90444000  1
