# generated using pymatgen
data_Ba2FeNi3As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74465792
_cell_length_b   6.82255803
_cell_length_c   5.73458288
_cell_angle_alpha   65.20383316
_cell_angle_beta   90.00240323
_cell_angle_gamma   89.99657842
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2FeNi3As4
_chemical_formula_sum   'Ba2 Fe1 Ni3 As4'
_cell_volume   204.03565684
_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
  Ba  Ba0  1  0.99578043  0.99998822  0.00001495  1.0
  Ba  Ba1  1  0.50397263  0.00000299  0.49999335  1.0
  Fe  Fe2  1  0.25030707  0.49950557  0.50021779  1.0
  Ni  Ni3  1  0.24939086  0.49926439  0.00055508  1.0
  Ni  Ni4  1  0.75057073  0.50080002  0.99933305  1.0
  Ni  Ni5  1  0.74976142  0.50059337  0.49978258  1.0
  As  As6  1  0.49932172  0.69266455  0.15335445  1.0
  As  As7  1  0.00093802  0.69253364  0.65373694  1.0
  As  As8  1  0.99999072  0.30743249  0.34631428  1.0
  As  As9  1  0.49996740  0.30721275  0.84669952  1.0