data_[Rb4Pd4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pd  2.2000  1.4000  0.8462
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5557]
_cell_length_b [6.6816]
_cell_length_c [7.0306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1246]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbPdN]
_chemical_formula_sum '[Rb4 Pd4 N4]'
_cell_volume [340.3772]
_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
[
  Rb  Rb0  4  0.2459  0.0000  0.2667  1
  Pd  Pd1  4  0.1586  0.0000  0.6915  1
  N  N2  4  0.0801  0.5000  0.0495  1
]