# generated using pymatgen
data_Fe2CoS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03500000
_cell_length_b   5.34100000
_cell_length_c   4.95800000
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.81400000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoS
_chemical_formula_sum   'Fe8 Co4 S4'
_cell_volume   186.29058811
_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  0.00199000  0.17235000  0.04573000  1
  S  S1  1  0.00199000  0.82765000  0.54573000  1
  S  S2  1  0.49721000  0.66409000  0.23125000  1
  S  S3  1  0.49721000  0.33591000  0.73125000  1
  Co  Co4  1  0.30390000  0.65466000  0.61721000  1
  Co  Co5  1  0.30390000  0.34534000  0.11721000  1
  Co  Co6  1  0.00061000  0.45967000  0.35745000  1
  Co  Co7  1  0.00061000  0.54033000  0.85745000  1
  Fe  Fe8  1  0.19376000  0.83964000  0.14322000  1
  Fe  Fe9  1  0.19376000  0.16036000  0.64322000  1
  Fe  Fe10  1  0.80291000  0.84158000  0.14359000  1
  Fe  Fe11  1  0.80291000  0.15842000  0.64359000  1
  Fe  Fe12  1  0.69995000  0.65220000  0.61615000  1
  Fe  Fe13  1  0.69995000  0.34780000  0.11615000  1
  Fe  Fe14  1  0.49961000  0.03904000  0.41953000  1
  Fe  Fe15  1  0.49961000  0.96096000  0.91953000  1
