# generated using pymatgen
data_Fe2CoS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95500000
_cell_length_b   5.33900000
_cell_length_c   7.03700000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.29300000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoS
_chemical_formula_sum   'Fe8 Co4 S4'
_cell_volume   186.15960640
_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  0.90013000  0.95017000  0.74950000  1
  S  S1  1  0.09987000  0.45017000  0.25050000  1
  S  S2  1  0.58817000  0.11141000  0.25584000  1
  S  S3  1  0.41183000  0.61141000  0.74416000  1
  Co  Co4  1  0.51791000  0.93228000  0.55806000  1
  Co  Co5  1  0.48209000  0.43228000  0.44194000  1
  Co  Co6  1  0.72104000  0.32298000  0.74913000  1
  Co  Co7  1  0.27896000  0.82298000  0.25087000  1
  Fe  Fe8  1  0.98294000  0.13018000  0.44805000  1
  Fe  Fe9  1  0.01706000  0.63018000  0.55195000  1
  Fe  Fe10  1  0.98705000  0.12646000  0.05183000  1
  Fe  Fe11  1  0.01295000  0.62646000  0.94817000  1
  Fe  Fe12  1  0.51487000  0.93822000  0.94933000  1
  Fe  Fe13  1  0.48513000  0.43822000  0.05067000  1
  Fe  Fe14  1  0.77678000  0.73803000  0.25044000  1
  Fe  Fe15  1  0.22322000  0.23803000  0.74956000  1
