data_[Ba2Na8As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [8.8933]
_cell_length_b [8.8933]
_cell_length_c [4.9246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Ba(Na2As)2]
_chemical_formula_sum '[Ba2 Na8 As4]'
_cell_volume [389.4922]
_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  2  0.0000  0.0000  0.5000  1.0
  Na  Na1  8  0.0971  0.3331  0.0000  1.0
  As  As2  4  0.2139  0.7861  0.0000  1.0
]