data_[Na3Bi1As2Pd9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.5719]
_cell_length_b [6.5719]
_cell_length_c [9.0396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Na3BiAs2Pd9]
_chemical_formula_sum '[Na3 Bi1 As2 Pd9]'
_cell_volume [338.1137]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.7129  1
  Na  Na1  1  0.0000  0.0000  0.0000  1
  Bi  Bi2  1  0.0000  0.0000  0.5000  1
  As  As3  2  0.3333  0.6667  0.1712  1
  Pd  Pd4  6  0.1400  0.2800  0.2588  1
  Pd  Pd5  3  0.0000  0.5000  0.0000  1
]