data_[Sr12Pd4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pd  2.2000  1.4000  0.8462
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1468]
_cell_length_b [8.0603]
_cell_length_c [12.4494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6Pd2N]
_chemical_formula_sum '[Sr12 Pd4 N2]'
_cell_volume [593.4934]
_cell_formula_units_Z [2]
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
[
  Sr  Sr0  4  0.1374  0.1572  0.4393  1.0
  Sr  Sr1  4  0.2865  0.7060  0.4402  1.0
  Sr  Sr2  4  0.3864  0.0372  0.2640  1.0
  Pd  Pd3  4  0.2104  0.1051  0.7497  1.0
  N  N4  2  0.5000  0.0000  0.5000  1.0
]