data_[Nd4Dy12Hg4]
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 [C2/m]
_cell_length_a [11.2869]
_cell_length_b [7.3912]
_cell_length_c [7.9884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdDy3Hg]
_chemical_formula_sum '[Nd4 Dy12 Hg4]'
_cell_volume [623.3796]
_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  4  0.0585  0.0000  0.2360  1.0
  Dy  Dy1  8  0.1604  0.2504  0.6417  1.0
  Dy  Dy2  4  0.0612  0.5000  0.2436  1.0
  Hg  Hg3  4  0.2389  0.5000  0.0006  1.0
]