data_[Nd20Sn8Hg8]
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 [Cmce]
_cell_length_a [16.4219]
_cell_length_b [8.3005]
_cell_length_c [8.2661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Nd5(SnHg)2]
_chemical_formula_sum '[Nd20 Sn8 Hg8]'
_cell_volume [1126.7556]
_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  16  0.1418  0.1719  0.6685  1.0
  Nd  Nd1  4  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  8  0.2039  0.0000  0.0000  1.0
  Hg  Hg3  8  0.0000  0.1283  0.3702  1.0
]