data_[Pm24Pb12Se9N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1091]
_cell_length_b [8.1091]
_cell_length_c [23.7903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm8Pb4Se3N]
_chemical_formula_sum '[Pm24 Pb12 Se9 N3]'
_cell_volume [1354.7987]
_cell_formula_units_Z [3]
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
[
  Pm  Pm0  18  0.0322  0.5161  0.7311  1
  Pm  Pm1  6  0.0000  0.0000  0.2612  1
  Pb  Pb2  9  0.0000  0.5000  0.5000  1
  Pb  Pb3  3  -0.0000  -0.0000  0.5000  1
  Se  Se4  9  0.0000  0.5000  0.0000  1
  N  N5  3  -0.0000  -0.0000  0.0000  1
]