data_[Na1Ga6Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3438]
_cell_length_b [4.3438]
_cell_length_c [8.5660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NaGa6Pd]
_chemical_formula_sum '[Na1 Ga6 Pd1]'
_cell_volume [161.6252]
_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  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  4  0.0000  0.5000  0.3298  1.0
  Ga  Ga2  2  0.5000  0.5000  0.1433  1.0
  Pd  Pd3  1  0.0000  0.0000  0.5000  1.0
]