data_[Nd4Ho2Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0212]
_cell_length_b [5.0904]
_cell_length_c [7.3035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2HoHg8]
_chemical_formula_sum '[Nd4 Ho2 Hg16]'
_cell_volume [559.4105]
_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  0.2105  0.0000  0.6576  1.0
  Ho  Ho1  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  4  0.0187  0.0000  0.7291  1.0
  Hg  Hg3  4  0.0940  0.5000  0.4461  1.0
  Hg  Hg4  4  0.1517  0.0000  0.1630  1.0
  Hg  Hg5  4  0.1656  0.5000  0.8916  1.0
]