data_[Nd8Ho2Hg4]
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 [P1]
_cell_length_a [6.1018]
_cell_length_b [9.1223]
_cell_length_c [9.1644]
_cell_angle_alpha [62.9258]
_cell_angle_beta [75.5496]
_cell_angle_gamma [75.2004]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nd4HoHg2]
_chemical_formula_sum '[Nd8 Ho2 Hg4]'
_cell_volume [433.8527]
_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  1  0.0623  0.3415  0.8590  1.0
  Nd  Nd1  1  0.2275  0.3673  0.2660  1.0
  Nd  Nd2  1  0.2665  0.8750  0.0587  1.0
  Nd  Nd3  1  0.3231  0.9213  0.4533  1.0
  Nd  Nd4  1  0.4123  0.5979  0.8237  1.0
  Nd  Nd5  1  0.7493  0.3423  0.5930  1.0
  Nd  Nd6  1  0.7709  0.7257  0.2459  1.0
  Nd  Nd7  1  0.8532  0.9014  0.8035  1.0
  Ho  Ho8  1  0.5646  0.1591  0.0231  1.0
  Ho  Ho9  1  0.8038  0.1150  0.3307  1.0
  Hg  Hg10  1  0.2914  0.5660  0.4579  1.0
  Hg  Hg11  1  0.3580  0.1168  0.6587  1.0
  Hg  Hg12  1  0.7165  0.4945  0.0998  1.0
  Hg  Hg13  1  0.8507  0.7263  0.5767  1.0
]