data_[Sr12Pb4N4]
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 [C2/m]
_cell_length_a [12.4496]
_cell_length_b [7.8679]
_cell_length_c [6.6246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3PbN]
_chemical_formula_sum '[Sr12 Pb4 N4]'
_cell_volume [631.1886]
_cell_formula_units_Z [4]
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  8  0.0824  0.2833  0.7865  1.0
  Sr  Sr1  4  0.1573  0.5000  0.3175  1.0
  Pb  Pb2  4  0.1420  0.0000  0.2163  1.0
  N  N3  2  0.0000  0.5000  0.0000  1.0
  N  N4  2  0.0000  0.5000  0.5000  1.0
]