data_[Nd12Hg2Bi4Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7757]
_cell_length_b [4.5048]
_cell_length_c [9.1341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6HgBi2Te3]
_chemical_formula_sum '[Nd12 Hg2 Bi4 Te6]'
_cell_volume [790.7074]
_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  4  0.0015  0.0000  0.7537  1.0
  Nd  Nd1  4  0.1628  0.5000  0.0815  1.0
  Nd  Nd2  4  0.1675  0.5000  0.5820  1.0
  Hg  Hg3  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi4  4  0.1653  0.0000  0.3322  1.0
  Te  Te5  4  0.1696  0.0000  0.8339  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]