data_[Sr48Pb6N36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.0568]
_cell_length_b [29.6932]
_cell_length_c [4.9854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sr8PbN6]
_chemical_formula_sum '[Sr48 Pb6 N36]'
_cell_volume [2375.9508]
_cell_formula_units_Z [6]
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  0.0445  0.3984  0.9871  1
  Sr  Sr1  4  0.0859  0.2760  0.0034  1
  Sr  Sr2  4  0.1684  0.9329  0.4073  1
  Sr  Sr3  4  0.1834  0.3688  0.5100  1
  Sr  Sr4  4  0.2376  0.2273  0.4936  1
  Sr  Sr5  4  0.2663  0.1225  0.9089  1
  Sr  Sr6  4  0.3164  0.3333  0.0324  1
  Sr  Sr7  4  0.3938  0.0709  0.4350  1
  Sr  Sr8  4  0.4187  0.4322  0.4980  1
  Sr  Sr9  4  0.4551  0.2921  0.5184  1
  Sr  Sr10  2  0.1492  0.5000  0.4512  1
  Sr  Sr11  2  0.2721  0.0000  0.9236  1
  Sr  Sr12  2  0.2985  0.5000  0.9733  1
  Sr  Sr13  2  0.4842  0.0000  0.8928  1
  Pb  Pb14  4  0.4055  0.1831  0.2589  1
  Pb  Pb15  2  0.0578  0.0000  0.9132  1
  N  N16  4  0.0590  0.4343  0.4948  1
  N  N17  4  0.0903  0.2467  0.5016  1
  N  N18  4  0.1444  0.0609  0.9058  1
  N  N19  4  0.1646  0.3454  0.0069  1
  N  N20  4  0.2883  0.1463  0.4142  1
  N  N21  4  0.3527  0.3598  0.5331  1
  N  N22  4  0.3569  0.2514  0.1803  1
  N  N23  4  0.3875  0.0669  0.9345  1
  N  N24  2  0.2760  0.0000  0.4246  1
  N  N25  2  0.3238  0.5000  0.4755  1
]