data_[Na2Nd4Te12Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  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 [20.1723]
_cell_length_b [4.5322]
_cell_length_c [9.3203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaNd2(Te2Pb)3]
_chemical_formula_sum '[Na2 Nd4 Te12 Pb6]'
_cell_volume [825.1109]
_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
[
  Na  Na0  2  0.0000  0.5000  0.0000  1
  Nd  Nd1  4  0.1671  0.0000  0.3439  1
  Te  Te2  4  0.0055  0.0000  0.2517  1
  Te  Te3  4  0.1689  0.5000  0.5894  1
  Te  Te4  4  0.1733  0.5000  0.1011  1
  Pb  Pb5  4  0.1584  0.0000  0.8487  1
  Pb  Pb6  2  0.0000  0.5000  0.5000  1
]