data_[Nd16Hg6Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8673]
_cell_length_b [8.4719]
_cell_length_c [6.5287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Hg3Bi2]
_chemical_formula_sum '[Nd16 Hg6 Bi4]'
_cell_volume [875.8989]
_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  0.1141  0.2912  0.3732  1
  Nd  Nd1  4  0.0849  0.5000  0.8693  1
  Nd  Nd2  4  0.1730  0.0000  0.8545  1
  Hg  Hg3  4  0.0000  0.1708  0.0000  1
  Hg  Hg4  2  0.0000  0.0000  0.5000  1
  Bi  Bi5  4  0.2432  0.0000  0.3557  1
]