# generated using pymatgen
data_FeCo5S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40400000
_cell_length_b   6.80300000
_cell_length_c   4.85300000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.53500000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo5S2
_chemical_formula_sum   'Fe2 Co10 S4'
_cell_volume   178.40506066
_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
  S  S0  1  0.00136000  0.00000000  0.99566000  1
  S  S1  1  0.24298000  0.50000000  0.06655000  1
  S  S2  1  0.73117000  0.50000000  0.48023000  1
  S  S3  1  0.48837000  0.00000000  0.56703000  1
  Co  Co4  1  0.30050000  0.80851000  0.86465000  1
  Co  Co5  1  0.30050000  0.19149000  0.86465000  1
  Co  Co6  1  0.93774000  0.68883000  0.19726000  1
  Co  Co7  1  0.93774000  0.31117000  0.19726000  1
  Co  Co8  1  0.42686000  0.69211000  0.36774000  1
  Co  Co9  1  0.42686000  0.30789000  0.36774000  1
  Co  Co10  1  0.11359000  0.00000000  0.42045000  1
  Co  Co11  1  0.09667000  0.50000000  0.65409000  1
  Co  Co12  1  0.61077000  0.50000000  0.90486000  1
  Co  Co13  1  0.63734000  0.00000000  0.15931000  1
  Fe  Fe14  1  0.79975000  0.80600000  0.69598000  1
  Fe  Fe15  1  0.79975000  0.19400000  0.69598000  1
