data_[Li4Pd4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [10.9215]
_cell_length_b [2.8392]
_cell_length_c [5.2330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiPdN]
_chemical_formula_sum '[Li4 Pd4 N4]'
_cell_volume [159.2525]
_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
[
  Li  Li0  4  0.1289  0.5000  0.3258  1
  Pd  Pd1  4  0.1536  0.5000  0.8346  1
  N  N2  4  0.0081  0.0000  0.8859  1
]