# generated using pymatgen
data_FeCoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44195419
_cell_length_b   5.46326532
_cell_length_c   5.46211765
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.20195335
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoS4
_chemical_formula_sum   'Fe2 Co2 S8'
_cell_volume   162.39233495
_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  0.00000000  0.00000000  0.00000000  1
  Fe  Fe1  1  0.00000000  0.50000000  0.50000000  1
  Co  Co2  1  0.50000000  0.00000000  0.50000000  1
  Co  Co3  1  0.50000000  0.50000000  0.00000000  1
  S  S4  1  0.88742000  0.61827000  0.11865000  1
  S  S5  1  0.11258000  0.11827000  0.38135000  1
  S  S6  1  0.61861300  0.38701400  0.61170000  1
  S  S7  1  0.38138700  0.88701400  0.88830000  1
  S  S8  1  0.11258000  0.38173000  0.88135000  1
  S  S9  1  0.88742000  0.88173000  0.61865000  1
  S  S10  1  0.38138700  0.61298600  0.38830000  1
  S  S11  1  0.61861300  0.11298600  0.11170000  1
