data_[Ba4Na2Fe12As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7238]
_cell_length_b [5.5022]
_cell_length_c [6.9976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Na(FeAs)6]
_chemical_formula_sum '[Ba4 Na2 Fe12 As12]'
_cell_volume [590.7518]
_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  4  0.1620  0.5000  0.0003  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  8  0.1667  0.2501  0.5010  1.0
  Fe  Fe3  4  0.0000  0.2513  0.5000  1.0
  As  As4  4  0.0509  0.5000  0.3011  1.0
  As  As5  4  0.1166  0.0000  0.6988  1.0
  As  As6  4  0.2169  0.0000  0.3044  1.0
]