# generated using pymatgen
data_Fe(NiAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95940055
_cell_length_b   6.95940055
_cell_length_c   6.95940055
_cell_angle_alpha   128.59136152
_cell_angle_beta   120.16591927
_cell_angle_gamma   82.74604015
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(NiAs)2
_chemical_formula_sum   'Fe3 Ni6 As6'
_cell_volume   218.86522907
_cell_formula_units_Z   3
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  0.50000000  0.85336100  0.35336100  1.0
  Fe  Fe1  1  0.79259600  0.24123700  0.44864100  1.0
  Fe  Fe2  1  0.20740400  0.65604400  0.44864100  1.0
  Ni  Ni3  1  0.74750800  0.50459400  0.25210200  1.0
  Ni  Ni4  1  0.25249200  0.50459400  0.75708600  1.0
  Ni  Ni5  1  0.37751800  0.24925500  0.37229400  1.0
  Ni  Ni6  1  0.87696100  0.24925500  0.87173700  1.0
  Ni  Ni7  1  0.12303900  0.99477600  0.37229400  1.0
  Ni  Ni8  1  0.62248200  0.99477600  0.87173700  1.0
  As  As9  1  0.00000000  0.24955200  0.24955200  1.0
  As  As10  1  0.50000000  0.25457300  0.75457300  1.0
  As  As11  1  0.41633500  0.91571300  0.99951300  1.0
  As  As12  1  0.91620000  0.91571300  0.49937800  1.0
  As  As13  1  0.08380000  0.58317800  0.99951300  1.0
  As  As14  1  0.58366500  0.58317800  0.49937800  1.0