data_[La2P2Pb1N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8879]
_cell_length_b [6.0015]
_cell_length_c [6.6629]
_cell_angle_alpha [112.9404]
_cell_angle_beta [102.0608]
_cell_angle_gamma [106.4173]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La2P2PbN6]
_chemical_formula_sum '[La2 P2 Pb1 N6]'
_cell_volume [193.9362]
_cell_formula_units_Z [1]
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
[
  La  La0  2  0.2228  0.6056  0.8261  1
  P  P1  2  0.0455  0.0132  0.7613  1
  Pb  Pb2  1  0.5000  0.0000  0.5000  1
  N  N3  2  0.0713  0.7736  0.1581  1
  N  N4  2  0.1216  0.2921  0.4092  1
  N  N5  2  0.3475  0.1135  0.8565  1
]