# generated using pymatgen
data_FeNiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56443580
_cell_length_b   10.31042910
_cell_length_c   6.10681572
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiAs
_chemical_formula_sum   'Fe6 Ni6 As6'
_cell_volume   224.43074543
_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  0.09911400  0.50000000  0.50000000  1
  Fe  Fe1  1  0.70384900  0.70345900  0.50000000  1
  Fe  Fe2  1  0.70384900  0.29654100  0.50000000  1
  Fe  Fe3  1  0.59911400  0.00000000  0.50000000  1
  Fe  Fe4  1  0.20384900  0.20345900  0.50000000  1
  Fe  Fe5  1  0.20384900  0.79654100  0.50000000  1
  Ni  Ni6  1  0.74695200  0.50000000  0.00000000  1
  Ni  Ni7  1  0.87382800  0.87007800  0.00000000  1
  Ni  Ni8  1  0.87382800  0.12992200  0.00000000  1
  Ni  Ni9  1  0.24695200  0.00000000  0.00000000  1
  Ni  Ni10  1  0.37382800  0.37007800  0.00000000  1
  Ni  Ni11  1  0.37382800  0.62992200  0.00000000  1
  As  As12  1  0.00216000  0.33902400  0.00000000  1
  As  As13  1  0.00216000  0.66097600  0.00000000  1
  As  As14  1  0.49415800  0.50000000  0.50000000  1
  As  As15  1  0.50216000  0.83902400  0.00000000  1
  As  As16  1  0.50216000  0.16097600  0.00000000  1
  As  As17  1  0.99415800  0.00000000  0.50000000  1
