# generated using pymatgen
data_Fe2CoS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02900000
_cell_length_b   4.95300000
_cell_length_c   5.34600000
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.07500000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoS
_chemical_formula_sum   'Fe8 Co4 S4'
_cell_volume   186.09479505
_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  0.00038000  0.04078000  0.16550000  1
  S  S1  1  0.99962000  0.54078000  0.83450000  1
  S  S2  1  0.50416000  0.72376000  0.32781000  1
  S  S3  1  0.49584000  0.22376000  0.67219000  1
  Co  Co4  1  0.80303000  0.64863000  0.15204000  1
  Co  Co5  1  0.19697000  0.14863000  0.84796000  1
  Co  Co6  1  0.50266000  0.91009000  0.95927000  1
  Co  Co7  1  0.49734000  0.41009000  0.04073000  1
  Fe  Fe8  1  0.69568000  0.12720000  0.33928000  1
  Fe  Fe9  1  0.30432000  0.62720000  0.66072000  1
  Fe  Fe10  1  0.69501000  0.62028000  0.65599000  1
  Fe  Fe11  1  0.30499000  0.12028000  0.34401000  1
  Fe  Fe12  1  0.80078000  0.15181000  0.85003000  1
  Fe  Fe13  1  0.19922000  0.65181000  0.14997000  1
  Fe  Fe14  1  0.99776000  0.85147000  0.53754000  1
  Fe  Fe15  1  0.00224000  0.35147000  0.46246000  1
