data_[Na4Nd4Hg4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.0797]
_cell_length_b [4.5399]
_cell_length_c [18.6588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaNdHgTe3]
_chemical_formula_sum '[Na4 Nd4 Hg4 Te12]'
_cell_volume [769.1310]
_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
[
  Na  Na0  4  0.0845  0.7500  0.3031  1
  Nd  Nd1  4  0.2177  0.7500  0.5392  1
  Hg  Hg2  4  0.0312  0.7500  0.8328  1
  Te  Te3  4  0.0104  0.7500  0.0730  1
  Te  Te4  4  0.1270  0.2500  0.4317  1
  Te  Te5  4  0.2098  0.7500  0.7117  1
]