data_[Nd12Sb4Te2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1204]
_cell_length_b [4.3528]
_cell_length_c [9.4813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Sb2TePb3]
_chemical_formula_sum '[Nd12 Sb4 Te2 Pb6]'
_cell_volume [795.7774]
_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  0.0020  0.0000  0.2497  1.0
  Nd  Nd1  4  0.1659  0.5000  0.0912  1.0
  Nd  Nd2  4  0.1687  0.5000  0.5764  1.0
  Sb  Sb3  4  0.1663  0.0000  0.3330  1.0
  Te  Te4  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb5  4  0.1659  0.0000  0.8339  1.0
  Pb  Pb6  2  0.0000  0.5000  0.5000  1.0
]