# generated using pymatgen
data_Fe2CoS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33500000
_cell_length_b   7.03000000
_cell_length_c   4.95400000
_cell_angle_alpha   90.12300000
_cell_angle_beta   90.10000000
_cell_angle_gamma   88.91800000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoS
_chemical_formula_sum   'Fe8 Co4 S4'
_cell_volume   185.76619031
_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  0.05238000  0.00034000  0.04202000  1
  S  S1  1  0.54648000  0.50589000  0.22275000  1
  S  S2  1  0.88695000  0.49579000  0.72869000  1
  S  S3  1  0.38589000  0.00051000  0.53667000  1
  Co  Co4  1  0.37519000  0.80586000  0.14590000  1
  Co  Co5  1  0.06353000  0.19417000  0.64946000  1
  Co  Co6  1  0.75927000  0.99730000  0.35264000  1
  Co  Co7  1  0.25742000  0.49713000  0.91151000  1
  Fe  Fe8  1  0.55740000  0.69805000  0.62705000  1
  Fe  Fe9  1  0.87452000  0.69658000  0.11941000  1
  Fe  Fe10  1  0.07070000  0.80202000  0.65198000  1
  Fe  Fe11  1  0.56526000  0.30225000  0.61716000  1
  Fe  Fe12  1  0.37223000  0.19805000  0.14996000  1
  Fe  Fe13  1  0.87630000  0.30291000  0.12870000  1
  Fe  Fe14  1  0.17704000  0.50084000  0.41224000  1
  Fe  Fe15  1  0.68000000  0.00245000  0.85208000  1
