# generated using pymatgen
data_Ba(FeAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60357148
_cell_length_b   7.21891450
_cell_length_c   5.85867786
_cell_angle_alpha   66.01278578
_cell_angle_beta   90.00037324
_cell_angle_gamma   89.99991222
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(FeAs)2
_chemical_formula_sum   'Ba2 Fe4 As4'
_cell_volume   216.52583989
_cell_formula_units_Z   2
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  0.00000435  0.00000100  0.99999900  1.0
  Ba  Ba1  1  0.50001617  0.99999900  0.50000100  1.0
  Fe  Fe2  1  0.25003685  0.49999800  -0.00000000  1.0
  Fe  Fe3  1  0.74997798  0.50000300  0.99999900  1.0
  Fe  Fe4  1  0.75003752  0.49999700  0.49999900  1.0
  Fe  Fe5  1  0.24997635  0.50000100  0.50000100  1.0
  As  As6  1  0.49998872  0.70762568  0.14621212  1.0
  As  As7  1  0.99998217  0.70761348  0.64617660  1.0
  As  As8  1  -0.00001283  0.29238652  0.35382340  1.0
  As  As9  1  0.49999372  0.29237432  0.85378888  1.0