data_[Nd12Hg6C2]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6877]
_cell_length_b [8.4580]
_cell_length_c [11.7893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Hg3C]
_chemical_formula_sum '[Nd12 Hg6 C2]'
_cell_volume [585.6467]
_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  0.0776  0.5545  0.7255  1.0
  Nd  Nd1  4  0.1828  0.2219  0.5649  1.0
  Nd  Nd2  4  0.3788  0.6473  0.5542  1.0
  Hg  Hg3  4  0.3158  0.6113  0.2384  1.0
  Hg  Hg4  2  0.5000  0.0000  0.5000  1.0
  C  C5  2  0.0000  0.0000  0.0000  1.0
]