data_[Nd16Sn10Hg2]
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 [I-4]
_cell_length_a [9.5597]
_cell_length_b [9.5597]
_cell_length_c [9.6351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nd8Sn5Hg]
_chemical_formula_sum '[Nd16 Sn10 Hg2]'
_cell_volume [880.5356]
_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  8  0.0685  0.1780  0.8016  1
  Nd  Nd1  8  0.0749  0.3181  0.4408  1
  Sn  Sn2  8  0.1254  0.2515  0.1217  1
  Sn  Sn3  2  0.0000  0.0000  0.5000  1
  Hg  Hg4  2  0.0000  0.5000  0.7500  1
]