data_[Ba4Na2Sn12As12]
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
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3206]
_cell_length_b [12.6626]
_cell_length_c [9.8187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Na(SnAs)6]
_chemical_formula_sum '[Ba4 Na2 Sn12 As12]'
_cell_volume [881.3122]
_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  0.0000  0.3334  0.0000  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  8  0.2078  0.3327  0.6257  1.0
  Sn  Sn3  4  0.2099  0.0000  0.6263  1.0
  As  As4  8  0.0875  0.1642  0.7698  1.0
  As  As5  4  0.0946  0.5000  0.7694  1.0
]