data_[Sc16Hg4Pb4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.2376]
_cell_length_b [14.8636]
_cell_length_c [6.2334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sc4HgPbN]
_chemical_formula_sum '[Sc16 Hg4 Pb4 N4]'
_cell_volume [577.9200]
_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
[
  Sc  Sc0  8  0.2500  0.2500  0.0000  1.0
  Sc  Sc1  4  0.0000  0.0877  0.7500  1.0
  Sc  Sc2  4  0.0000  0.4042  0.7500  1.0
  Hg  Hg3  4  0.0000  0.1120  0.2500  1.0
  Pb  Pb4  4  0.0000  0.3956  0.2500  1.0
  N  N5  4  0.0000  0.2492  0.7500  1.0
]