data_[Nd16Hg4Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2632]
_cell_length_b [5.2426]
_cell_length_c [7.1960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Hg2Sb]
_chemical_formula_sum '[Nd16 Hg4 Sb2]'
_cell_volume [715.6513]
_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  0.0254  0.0000  0.7549  1.0
  Nd  Nd1  4  0.0906  0.5000  0.4504  1.0
  Nd  Nd2  4  0.1633  0.5000  0.9721  1.0
  Nd  Nd3  4  0.2039  0.0000  0.3216  1.0
  Hg  Hg4  4  0.1897  0.0000  0.7407  1.0
  Sb  Sb5  2  0.0000  0.5000  0.0000  1.0
]