data_[Sr12Ag4Pd2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  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 [7.3604]
_cell_length_b [8.1073]
_cell_length_c [12.9762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6Ag2PdN]
_chemical_formula_sum '[Sr12 Ag4 Pd2 N2]'
_cell_volume [648.6126]
_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  0.1220  0.0272  0.7318  1.0
  Sr  Sr1  4  0.2181  0.7104  0.5536  1.0
  Sr  Sr2  4  0.3454  0.1727  0.5499  1.0
  Ag  Ag3  4  0.2936  0.0925  0.2524  1.0
  Pd  Pd4  2  0.5000  0.0000  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]