# generated using pymatgen
data_Fe2CoS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95400000
_cell_length_b   7.03000000
_cell_length_c   5.32800000
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.84100000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoS
_chemical_formula_sum   'Fe8 Co4 S4'
_cell_volume   185.55551687
_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  0.97104000  0.00000000  0.95284000  1
  S  S1  1  0.27493000  0.50000000  0.10706000  1
  S  S2  1  0.76903000  0.50000000  0.44661000  1
  S  S3  1  0.45749000  0.00000000  0.61725000  1
  Co  Co4  1  0.35022000  0.80546000  0.93364000  1
  Co  Co5  1  0.35022000  0.19454000  0.93364000  1
  Co  Co6  1  0.14603000  0.00000000  0.32661000  1
  Co  Co7  1  0.58756000  0.50000000  0.82120000  1
  Fe  Fe8  1  0.87819000  0.69829000  0.12323000  1
  Fe  Fe9  1  0.87819000  0.30171000  0.12323000  1
  Fe  Fe10  1  0.37939000  0.69685000  0.43581000  1
  Fe  Fe11  1  0.37939000  0.30315000  0.43581000  1
  Fe  Fe12  1  0.84778000  0.80307000  0.63380000  1
  Fe  Fe13  1  0.84778000  0.19693000  0.63380000  1
  Fe  Fe14  1  0.08961000  0.50000000  0.73511000  1
  Fe  Fe15  1  0.64511000  0.00000000  0.23981000  1
