# generated using pymatgen
data_FeCo16NiS16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96361323
_cell_length_b   6.96361323
_cell_length_c   9.84424427
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo16NiS16
_chemical_formula_sum   'Fe1 Co16 Ni1 S16'
_cell_volume   477.36619945
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.00000000  0.00000000  0.50000000  1
  Co  Co1  1  0.25307700  0.00000000  0.87260100  1
  Co  Co2  1  0.75168100  0.50000000  0.37475900  1
  Co  Co3  1  0.50000000  0.24831900  0.62524100  1
  Co  Co4  1  0.00000000  0.74692300  0.12739900  1
  Co  Co5  1  0.50000000  0.75168100  0.62524100  1
  Co  Co6  1  0.00000000  0.25307700  0.12739900  1
  Co  Co7  1  0.74692300  0.00000000  0.87260100  1
  Co  Co8  1  0.24831900  0.50000000  0.37475900  1
  Co  Co9  1  0.74692300  0.00000000  0.12739900  1
  Co  Co10  1  0.24831900  0.50000000  0.62524100  1
  Co  Co11  1  0.50000000  0.75168100  0.37475900  1
  Co  Co12  1  0.00000000  0.25307700  0.87260100  1
  Co  Co13  1  0.50000000  0.24831900  0.37475900  1
  Co  Co14  1  0.00000000  0.74692300  0.87260100  1
  Co  Co15  1  0.25307700  0.00000000  0.12739900  1
  Co  Co16  1  0.75168100  0.50000000  0.62524100  1
  Ni  Ni17  1  0.50000000  0.50000000  0.00000000  1
  S  S18  1  0.00000000  0.00000000  0.73614500  1
  S  S19  1  0.50000000  0.50000000  0.24262700  1
  S  S20  1  0.76311000  0.76311000  0.50000000  1
  S  S21  1  0.25733900  0.25733900  0.00000000  1
  S  S22  1  0.76311000  0.23689000  0.50000000  1
  S  S23  1  0.25733900  0.74266100  0.00000000  1
  S  S24  1  0.00000000  0.00000000  0.26385500  1
  S  S25  1  0.50000000  0.50000000  0.75737300  1
  S  S26  1  0.23689000  0.23689000  0.50000000  1
  S  S27  1  0.74266100  0.74266100  0.00000000  1
  S  S28  1  0.23689000  0.76311000  0.50000000  1
  S  S29  1  0.74266100  0.25733900  0.00000000  1
  S  S30  1  0.50000000  0.00000000  0.74768700  1
  S  S31  1  0.00000000  0.50000000  0.25231300  1
  S  S32  1  0.50000000  0.00000000  0.25231300  1
  S  S33  1  0.00000000  0.50000000  0.74768700  1
