data_[Nd8Ho6Hg8]
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 [Immm]
_cell_length_a [3.6359]
_cell_length_b [9.2669]
_cell_length_c [19.2640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd4Ho3Hg4]
_chemical_formula_sum '[Nd8 Ho6 Hg8]'
_cell_volume [649.0631]
_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  8  0.0000  0.1762  0.3406  1.0
  Ho  Ho1  4  0.0000  0.0000  0.0961  1.0
  Ho  Ho2  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg3  4  0.0000  0.2887  0.5000  1.0
  Hg  Hg4  4  0.0000  0.5000  0.2747  1.0
]