data_[Nd14Hg6N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0495]
_cell_length_b [24.3176]
_cell_length_c [4.9989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nd7Hg3N2]
_chemical_formula_sum '[Nd14 Hg6 N4]'
_cell_volume [613.8286]
_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
[
  Nd  Nd0  4  0.0000  0.1015  0.5000  1.0
  Nd  Nd1  4  0.0000  0.2033  0.0000  1.0
  Nd  Nd2  4  0.0000  0.3998  0.0000  1.0
  Nd  Nd3  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  4  0.0000  0.3008  0.5000  1.0
  Hg  Hg5  2  0.0000  0.5000  0.5000  1.0
  N  N6  4  0.0000  0.1044  0.0000  1.0
]