# generated using pymatgen
data_Fe(NiAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94193992
_cell_length_b   10.44497987
_cell_length_c   6.03696033
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(NiAs)2
_chemical_formula_sum   'Fe6 Ni12 As12'
_cell_volume   437.73047157
_cell_formula_units_Z   6
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  0.35336100  0.00000000  0.50000000  1
  Fe  Fe1  1  0.44864100  0.00000000  0.79259600  1
  Fe  Fe2  1  0.94864100  0.50000000  0.70740400  1
  Fe  Fe3  1  0.85336100  0.50000000  0.00000000  1
  Fe  Fe4  1  0.94864100  0.50000000  0.29259600  1
  Fe  Fe5  1  0.44864100  0.00000000  0.20740400  1
  Ni  Ni6  1  0.00459400  0.24750800  0.50000000  1
  Ni  Ni7  1  0.00459400  0.75249200  0.50000000  1
  Ni  Ni8  1  0.62201600  0.75027800  0.62724000  1
  Ni  Ni9  1  0.62201600  0.24972200  0.62724000  1
  Ni  Ni10  1  0.12201600  0.25027800  0.87276000  1
  Ni  Ni11  1  0.12201600  0.74972200  0.87276000  1
  Ni  Ni12  1  0.50459400  0.74750800  0.00000000  1
  Ni  Ni13  1  0.50459400  0.25249200  0.00000000  1
  Ni  Ni14  1  0.12201600  0.25027800  0.12724000  1
  Ni  Ni15  1  0.12201600  0.74972200  0.12724000  1
  Ni  Ni16  1  0.62201600  0.75027800  0.37276000  1
  Ni  Ni17  1  0.62201600  0.24972200  0.37276000  1
  As  As18  1  0.74955200  0.50000000  0.50000000  1
  As  As19  1  0.75457300  0.00000000  0.50000000  1
  As  As20  1  0.24944600  0.75006800  0.66626800  1
  As  As21  1  0.24944600  0.24993200  0.66626800  1
  As  As22  1  0.74944600  0.25006800  0.83373200  1
  As  As23  1  0.74944600  0.74993200  0.83373200  1
  As  As24  1  0.24955200  0.00000000  0.00000000  1
  As  As25  1  0.25457300  0.50000000  0.00000000  1
  As  As26  1  0.74944600  0.25006800  0.16626800  1
  As  As27  1  0.74944600  0.74993200  0.16626800  1
  As  As28  1  0.24944600  0.75006800  0.33373200  1
  As  As29  1  0.24944600  0.24993200  0.33373200  1
