data_[Nd12Sn6Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2960]
_cell_length_b [9.0118]
_cell_length_c [13.0271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Sn3Hg]
_chemical_formula_sum '[Nd12 Sn6 Hg2]'
_cell_volume [654.4571]
_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  0.0349  0.6737  0.9323  1
  Nd  Nd1  4  0.3217  0.1735  0.9262  1
  Nd  Nd2  4  0.3852  0.5517  0.7480  1
  Sn  Sn3  4  0.1499  0.6169  0.2507  1
  Sn  Sn4  2  0.5000  0.0000  0.5000  1
  Hg  Hg5  2  0.0000  0.0000  0.0000  1
]