data_[Na7Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [8.9206]
_cell_length_b [8.9206]
_cell_length_c [17.6482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Na7Pd]
_chemical_formula_sum '[Na7 Pd1]'
_cell_volume [1216.2398]
_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  6  0.2019  0.4039  0.4832  1
  Na  Na1  1  0.0000  0.0000  0.6253  1
  Pd  Pd2  1  0.0000  0.0000  0.4753  1
]