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 [P2_1/c]
_cell_length_a [9.3982]
_cell_length_b [6.8603]
_cell_length_c [11.4171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr3PbN]
_chemical_formula_sum '[Sr12 Pb4 N4]'
_cell_volume [635.6267]
_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  4  0.0813  0.0447  0.3922  1
  Sr  Sr1  4  0.1941  0.5608  0.5453  1
  Sr  Sr2  4  0.3470  0.1607  0.7721  1
  Pb  Pb3  4  0.4352  0.6863  0.8952  1
  N  N4  4  0.0671  0.2384  0.5737  1
]