data_[Nd6Hg10Bi2]
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 [P6_3/mcm]
_cell_length_a [9.2567]
_cell_length_b [9.2567]
_cell_length_c [6.5991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Nd3Hg5Bi]
_chemical_formula_sum '[Nd6 Hg10 Bi2]'
_cell_volume [489.6937]
_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  6  0.0000  0.3221  0.2500  1
  Hg  Hg1  6  0.0000  0.3516  0.7500  1
  Hg  Hg2  4  0.3333  0.6667  0.5000  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
]