data_[Nd16Er16Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.4816]
_cell_length_b [10.1801]
_cell_length_c [16.5458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Nd2Er2Hg]
_chemical_formula_sum '[Nd16 Er16 Hg8]'
_cell_volume [1260.1854]
_cell_formula_units_Z [8]
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  0.0000  0.0000  0.2950  1.0
  Nd  Nd1  8  0.2065  0.0000  0.5000  1.0
  Er  Er2  16  0.0000  0.2052  0.1028  1.0
  Hg  Hg3  8  0.2500  0.2500  0.2500  1.0
]