data_[Na4Si8As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.0650]
_cell_length_b [3.8487]
_cell_length_c [7.6019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSi2As3]
_chemical_formula_sum '[Na4 Si8 As12]'
_cell_volume [614.0304]
_cell_formula_units_Z [4]
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
[
  Na  Na0  4  0.1483  0.5000  0.4553  1.0
  Si  Si1  4  0.0463  0.0000  0.8940  1.0
  Si  Si2  4  0.1931  0.5000  0.9766  1.0
  As  As3  4  0.0652  0.0000  0.2133  1.0
  As  As4  4  0.0884  0.5000  0.7659  1.0
  As  As5  4  0.2248  0.0000  0.1794  1.0
]