# generated using pymatgen
data_Fe2CoS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33700000
_cell_length_b   7.03400000
_cell_length_c   4.96000000
_cell_angle_alpha   90.30200000
_cell_angle_beta   90.03300000
_cell_angle_gamma   90.10500000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoS
_chemical_formula_sum   'Fe8 Co4 S4'
_cell_volume   186.19774055
_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  0.04680000  0.00200000  0.95310000  1
  S  S1  1  0.88494000  0.49669000  0.26578000  1
  S  S2  1  0.38722000  0.00162000  0.45983000  1
  S  S3  1  0.55365000  0.49700000  0.77132000  1
  Co  Co4  1  0.87618000  0.30530000  0.88013000  1
  Co  Co5  1  0.56399000  0.30403000  0.38164000  1
  Co  Co6  1  0.26005000  0.50116000  0.08223000  1
  Co  Co7  1  0.75738000  0.00140000  0.64413000  1
  Fe  Fe8  1  0.05969000  0.19667000  0.35401000  1
  Fe  Fe9  1  0.37732000  0.19687000  0.85660000  1
  Fe  Fe10  1  0.06161000  0.80056000  0.35573000  1
  Fe  Fe11  1  0.87529000  0.69761000  0.88194000  1
  Fe  Fe12  1  0.56384000  0.69645000  0.38232000  1
  Fe  Fe13  1  0.37610000  0.80210000  0.85589000  1
  Fe  Fe14  1  0.67761000  0.00007000  0.14487000  1
  Fe  Fe15  1  0.17873000  0.50033000  0.58245000  1
