# generated using pymatgen
data_K2Ba(FeAs)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61210276
_cell_length_b   8.61210276
_cell_length_c   7.18634711
_cell_angle_alpha   68.93718157
_cell_angle_beta   68.93718157
_cell_angle_gamma   36.80656354
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Ba(FeAs)6
_chemical_formula_sum   'K2 Ba1 Fe6 As6'
_cell_volume   295.53620202
_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
  K  K0  1  0.66996100  0.66996100  0.00022600  1.0
  K  K1  1  0.33003900  0.33003900  0.99977400  1.0
  Ba  Ba2  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe3  1  0.75096800  0.24903200  0.50000000  1.0
  Fe  Fe4  1  0.08353300  0.58398300  0.49945900  1.0
  Fe  Fe5  1  0.41601700  0.91646700  0.50054100  1.0
  Fe  Fe6  1  0.58398300  0.08353300  0.49945900  1.0
  Fe  Fe7  1  0.91646700  0.41601700  0.50054100  1.0
  Fe  Fe8  1  0.24903200  0.75096800  0.50000000  1.0
  As  As9  1  0.88208700  0.88208700  0.69737700  1.0
  As  As10  1  0.21781600  0.21781600  0.69429200  1.0
  As  As11  1  0.55184300  0.55184300  0.69697800  1.0
  As  As12  1  0.44815700  0.44815700  0.30302200  1.0
  As  As13  1  0.78218400  0.78218400  0.30570800  1.0
  As  As14  1  0.11791300  0.11791300  0.30262300  1.0