data_[Nd16Ni8Hg4]
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 [Cc]
_cell_length_a [8.6495]
_cell_length_b [15.1536]
_cell_length_c [6.9674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Nd4Ni2Hg]
_chemical_formula_sum '[Nd16 Ni8 Hg4]'
_cell_volume [722.4647]
_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  0.0920  0.3260  0.2677  1.0
  Nd  Nd1  4  0.2679  0.2389  0.9261  1.0
  Nd  Nd2  4  0.3136  0.0342  0.2314  1.0
  Nd  Nd3  4  0.3388  0.4647  0.0965  1.0
  Ni  Ni4  4  0.0699  0.4101  0.6248  1.0
  Ni  Ni5  4  0.4801  0.6642  0.9481  1.0
  Hg  Hg6  4  0.0737  0.1312  0.4038  1.0
]