# generated using pymatgen
data_Fe3NiAs8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26853096
_cell_length_b   2.97882545
_cell_length_c   11.96617769
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.01250717
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3NiAs8
_chemical_formula_sum   'Fe3 Ni1 As8'
_cell_volume   187.79759633
_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  0.50152300  0.50000000  0.74833900  1
  Fe  Fe1  1  0.49847700  0.50000000  0.25166100  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni3  1  0.00000000  0.00000000  0.50000000  1
  As  As4  1  0.31835400  0.50000000  0.93050100  1
  As  As5  1  0.32291900  0.50000000  0.42941300  1
  As  As6  1  0.67708100  0.50000000  0.57058700  1
  As  As7  1  0.68164600  0.50000000  0.06949900  1
  As  As8  1  0.81604400  0.00000000  0.81969700  1
  As  As9  1  0.81598200  0.00000000  0.31544700  1
  As  As10  1  0.18401800  0.00000000  0.68455300  1
  As  As11  1  0.18395600  0.00000000  0.18030300  1
