# generated using pymatgen
data_Fe2CoS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03100000
_cell_length_b   4.94900000
_cell_length_c   8.90999000
_cell_angle_alpha   90.00000000
_cell_angle_beta   36.69974000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoS
_chemical_formula_sum   'Fe8 Co4 S4'
_cell_volume   185.28402985
_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  0.95356000  0.91087000  0.05069000  1
  S  S1  1  0.95356000  0.08913000  0.55069000  1
  S  S2  1  0.61040000  0.39901000  0.38740000  1
  S  S3  1  0.61040000  0.60099000  0.88740000  1
  Co  Co4  1  0.43192000  0.00983000  0.37266000  1
  Co  Co5  1  0.43192000  0.99017000  0.87266000  1
  Co  Co6  1  0.23683000  0.22096000  0.76002000  1
  Co  Co7  1  0.23683000  0.77904000  0.26002000  1
  Fe  Fe8  1  0.13724000  0.49069000  0.55925000  1
  Fe  Fe9  1  0.13724000  0.50931000  0.05925000  1
  Fe  Fe10  1  0.82496000  0.98238000  0.87325000  1
  Fe  Fe11  1  0.82496000  0.01762000  0.37325000  1
  Fe  Fe12  1  0.73047000  0.51762000  0.07086000  1
  Fe  Fe13  1  0.73047000  0.48238000  0.57086000  1
  Fe  Fe14  1  0.32440000  0.27799000  0.17615000  1
  Fe  Fe15  1  0.32440000  0.72201000  0.67615000  1
