data_[Y3Pb1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.6845]
_cell_length_b [4.7193]
_cell_length_c [6.7540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Y3PbN]
_chemical_formula_sum '[Y3 Pb1 N1]'
_cell_volume [117.4425]
_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
[
  Y  Y0  2  0.5000  0.0000  0.2602  1.0
  Y  Y1  1  0.0000  0.5000  0.5000  1.0
  Pb  Pb2  1  0.0000  0.5000  0.0000  1.0
  N  N3  1  0.0000  0.0000  0.5000  1.0
]