data_[Sm2P2Pb1N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [5.8864]
_cell_length_b [6.0644]
_cell_length_c [6.5652]
_cell_angle_alpha [102.8936]
_cell_angle_beta [113.0885]
_cell_angle_gamma [108.9231]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sm2P2PbN6]
_chemical_formula_sum '[Sm2 P2 Pb1 N6]'
_cell_volume [186.6820]
_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
[
  Sm  Sm0  2  0.3808  0.7929  0.1739  1.0
  P  P1  2  0.2934  0.2495  0.2365  1.0
  Pb  Pb2  1  0.0000  0.5000  0.5000  1.0
  N  N3  2  0.1015  0.3797  0.1485  1.0
  N  N4  2  0.2955  0.1210  0.4220  1.0
  N  N5  2  0.4934  0.2347  0.1318  1.0
]