data_[Nd12Dy4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.3077]
_cell_length_b [14.8968]
_cell_length_c [7.6204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Nd3DyHg2]
_chemical_formula_sum '[Nd12 Dy4 Hg8]'
_cell_volume [829.5661]
_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  8  0.0000  0.2273  0.2500  1
  Nd  Nd1  4  0.0000  0.5000  0.2500  1
  Dy  Dy2  4  0.0000  0.0000  0.0000  1
  Hg  Hg3  8  0.2030  0.3627  0.0000  1
]