data_[Nd24Hg3Ge9Te12]
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
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7960]
_cell_length_b [8.7960]
_cell_length_c [22.0498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd8HgGe3Te4]
_chemical_formula_sum '[Nd24 Hg3 Ge9 Te12]'
_cell_volume [1477.4129]
_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  18  0.0121  0.5061  0.7553  1.0
  Nd  Nd1  6  0.0000  0.0000  0.2408  1.0
  Hg  Hg2  3  -0.0000  -0.0000  0.5000  1.0
  Ge  Ge3  9  0.0000  0.5000  0.5000  1.0
  Te  Te4  9  0.0000  0.5000  0.0000  1.0
  Te  Te5  3  0.0000  0.0000  0.0000  1.0
]