data_[Sr12P4Pd2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  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 [7.1963]
_cell_length_b [7.8738]
_cell_length_c [12.5827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6822]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6P2PdN]
_chemical_formula_sum '[Sr12 P4 Pd2 N2]'
_cell_volume [593.2748]
_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  0.0892  0.0562  0.7298  1
  Sr  Sr1  4  0.2361  0.7069  0.5716  1
  Sr  Sr2  4  0.3621  0.1704  0.5666  1
  P  P3  4  0.2916  0.0924  0.2526  1
  Pd  Pd4  2  0.5000  0.0000  0.0000  1
  N  N5  2  0.0000  0.0000  0.5000  1
]