data_[Co12Pd4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Pd  2.2000  1.4000  0.8462
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.6710]
_cell_length_b [5.4466]
_cell_length_c [6.4161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.5015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Co3PdN]
_chemical_formula_sum '[Co12 Pd4 N4]'
_cell_volume [223.3991]
_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
[
  Co  Co0  4  0.1962  0.2670  0.6598  1.0
  Co  Co1  4  0.2939  0.2275  0.3406  1.0
  Co  Co2  2  0.0154  0.5000  0.7861  1.0
  Co  Co3  2  0.4386  0.5000  0.1431  1.0
  Pd  Pd4  2  0.0302  0.0000  0.8205  1.0
  Pd  Pd5  2  0.4561  0.0000  0.1528  1.0
  N  N6  2  0.2200  0.0000  0.4852  1.0
  N  N7  2  0.2393  0.5000  0.1512  1.0
]