data_[Sr36Pt6Pb12N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7529]
_cell_length_b [7.7529]
_cell_length_c [39.2547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr6PtPb2N]
_chemical_formula_sum '[Sr36 Pt6 Pb12 N6]'
_cell_volume [2043.3809]
_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  18  0.0080  0.5040  0.1293  1.0
  Sr  Sr1  18  0.0209  0.5104  0.7050  1.0
  Pt  Pt2  6  0.0000  0.0000  0.4134  1.0
  Pb  Pb3  6  0.0000  0.0000  0.1253  1.0
  Pb  Pb4  6  0.0000  0.0000  0.2912  1.0
  N  N5  3  -0.0000  -0.0000  0.5000  1.0
  N  N6  3  0.0000  0.0000  0.0000  1.0
]