data_[Nd12Bi4Te6Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
  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 [19.8166]
_cell_length_b [4.5751]
_cell_length_c [9.0988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Bi2Te3Pb]
_chemical_formula_sum '[Nd12 Bi4 Te6 Pb2]'
_cell_volume [804.1167]
_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  0.0000  0.0000  0.2434  1.0
  Nd  Nd1  4  0.1639  0.5000  0.0827  1.0
  Nd  Nd2  4  0.1672  0.5000  0.5819  1.0
  Bi  Bi3  4  0.1667  0.0000  0.3336  1.0
  Te  Te4  4  0.1677  0.0000  0.8331  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb6  2  0.0000  0.5000  0.0000  1.0
]