data_[Nd12Hg4Sb2Te6]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9641]
_cell_length_b [4.4442]
_cell_length_c [9.0923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Hg2SbTe3]
_chemical_formula_sum '[Nd12 Hg4 Sb2 Te6]'
_cell_volume [767.4585]
_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  0.0049  0.0000  0.2474  1.0
  Nd  Nd1  4  0.1629  0.5000  0.6044  1.0
  Nd  Nd2  4  0.1673  0.5000  0.1053  1.0
  Hg  Hg3  4  0.1771  0.0000  0.3663  1.0
  Sb  Sb4  2  0.0000  0.5000  0.0000  1.0
  Te  Te5  4  0.1630  0.0000  0.8517  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]