data_[Y12Pb4N4]
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 [Cmmm]
_cell_length_a [6.7670]
_cell_length_b [14.4765]
_cell_length_c [4.7516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Y3PbN]
_chemical_formula_sum '[Y12 Pb4 N4]'
_cell_volume [465.4781]
_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
[
  Y  Y0  4  0.0000  0.3706  0.0000  1.0
  Y  Y1  4  0.2390  0.5000  0.5000  1.0
  Y  Y2  4  0.2500  0.2500  0.5000  1.0
  Pb  Pb3  4  0.0000  0.1328  0.0000  1.0
  N  N4  4  0.0000  0.3729  0.5000  1.0
]