data_[Y6Pb6N10]
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 [P-1]
_cell_length_a [6.4421]
_cell_length_b [7.0038]
_cell_length_c [10.3368]
_cell_angle_alpha [73.0765]
_cell_angle_beta [88.8511]
_cell_angle_gamma [88.0796]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Y3Pb3N5]
_chemical_formula_sum '[Y6 Pb6 N10]'
_cell_volume [445.9181]
_cell_formula_units_Z [2]
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  0.1606  0.9501  0.2298  1
  Y  Y1  2  0.1815  0.6616  0.9255  1
  Y  Y2  2  0.2743  0.0397  0.5741  1
  Pb  Pb3  2  0.2170  0.5730  0.5587  1
  Pb  Pb4  2  0.2517  0.3704  0.2624  1
  Pb  Pb5  2  0.3481  0.1818  0.8969  1
  N  N6  2  0.0326  0.2781  0.6080  1
  N  N7  2  0.0823  0.7911  0.7032  1
  N  N8  2  0.1763  0.3259  0.0502  1
  N  N9  2  0.2949  0.8628  0.0409  1
  N  N10  2  0.3907  0.0389  0.3567  1
]