data_[Na3Cd12As9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5447]
_cell_length_b [4.5447]
_cell_length_c [34.1504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NaCd4As3]
_chemical_formula_sum '[Na3 Cd12 As9]'
_cell_volume [610.8454]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1.0
  Cd  Cd1  6  0.0000  0.0000  0.0955  1.0
  Cd  Cd2  6  0.0000  0.0000  0.2992  1.0
  As  As3  6  0.0000  0.0000  0.2198  1.0
  As  As4  3  0.0000  0.0000  0.0000  1.0
]