data_[Nd4Hg4C4]
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 [9.9931]
_cell_length_b [4.0678]
_cell_length_c [6.9558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NdHgC]
_chemical_formula_sum '[Nd4 Hg4 C4]'
_cell_volume [269.5480]
_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
[
  Nd  Nd0  4  0.1570  0.5708  0.3707  1.0
  Hg  Hg1  4  0.4023  0.1008  0.2970  1.0
  C  C2  4  0.0422  0.1106  0.4760  1.0
]