# generated using pymatgen
data_FeCo2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93900000
_cell_length_b   6.95800000
_cell_length_c   5.29100000
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.96700000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2S
_chemical_formula_sum   'Fe4 Co8 S4'
_cell_volume   181.82815838
_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  0.03434000  0.00000000  0.05252000  1
  S  S1  1  0.23314000  0.50000000  0.55421000  1
  S  S2  1  0.53050000  0.00000000  0.37929000  1
  S  S3  1  0.73353000  0.50000000  0.88861000  1
  Co  Co4  1  0.11739000  0.30733000  0.86815000  1
  Co  Co5  1  0.11739000  0.69267000  0.86815000  1
  Co  Co6  1  0.65715000  0.19301000  0.06548000  1
  Co  Co7  1  0.65715000  0.80699000  0.06548000  1
  Co  Co8  1  0.14709000  0.19304000  0.37272000  1
  Co  Co9  1  0.14709000  0.80696000  0.37272000  1
  Co  Co10  1  0.85202000  0.00000000  0.67637000  1
  Co  Co11  1  0.41475000  0.50000000  0.17684000  1
  Fe  Fe12  1  0.62030000  0.29930000  0.56537000  1
  Fe  Fe13  1  0.62030000  0.70070000  0.56537000  1
  Fe  Fe14  1  0.91479000  0.50000000  0.26562000  1
  Fe  Fe15  1  0.35109000  0.00000000  0.76347000  1
