data_[La6Hg4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5977]
_cell_length_b [3.9885]
_cell_length_c [9.0787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.0287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(HgN)2]
_chemical_formula_sum '[La6 Hg4 N4]'
_cell_volume [371.4443]
_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
[
  La  La0  4  0.1774  0.0000  0.7856  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  4  0.1204  0.5000  0.4008  1
  N  N3  4  0.1969  0.0000  0.0617  1
]