data_[Nd12Te2Pb6Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4379]
_cell_length_b [4.4340]
_cell_length_c [9.0249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6TePb3Se2]
_chemical_formula_sum '[Nd12 Te2 Pb6 Se4]'
_cell_volume [755.7290]
_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  0.0051  0.0000  0.2554  1.0
  Nd  Nd1  4  0.1693  0.5000  0.0916  1.0
  Nd  Nd2  4  0.1696  0.5000  0.5766  1.0
  Te  Te3  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb4  4  0.1640  0.0000  0.8305  1.0
  Pb  Pb5  2  0.0000  0.5000  0.5000  1.0
  Se  Se6  4  0.1681  0.0000  0.3344  1.0
]