data_[Nd9Ni24Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.1061]
_cell_length_b [5.1061]
_cell_length_c [25.2298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Nd3Ni8Hg]
_chemical_formula_sum '[Nd9 Ni24 Hg3]'
_cell_volume [569.6678]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0065  1
  Nd  Nd1  3  0.0000  0.0000  0.4946  1
  Nd  Nd2  3  0.0000  0.0000  0.6228  1
  Ni  Ni3  9  0.1673  0.3345  0.8955  1
  Ni  Ni4  9  0.1685  0.3369  0.3957  1
  Ni  Ni5  3  0.0000  0.0000  0.3124  1
  Ni  Ni6  3  0.0000  0.0000  0.8122  1
  Hg  Hg7  3  0.0000  0.0000  0.1279  1
]