data_[La8Nd4Hg4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [I4cm]
_cell_length_a [7.2137]
_cell_length_b [7.2137]
_cell_length_c [10.5887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [108]
_chemical_formula_structural [La2NdHgC]
_chemical_formula_sum '[La8 Nd4 Hg4 C4]'
_cell_volume [551.0078]
_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
[
  La  La0  8  0.1997  0.3003  0.9970  1.0
  Nd  Nd1  4  0.0000  0.0000  0.2438  1.0
  Hg  Hg2  4  0.0000  0.5000  0.2477  1.0
  C  C3  4  0.0000  0.0000  0.0148  1.0
]