data_[Nd4Sb1Te2Pb1]
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 [P2/m]
_cell_length_a [7.8490]
_cell_length_b [4.5436]
_cell_length_c [7.8540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4997]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4SbTe2Pb]
_chemical_formula_sum '[Nd4 Sb1 Te2 Pb1]'
_cell_volume [264.0319]
_cell_formula_units_Z [1]
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  2  0.2410  0.5000  0.2471  1
  Nd  Nd1  2  0.2425  0.0000  0.7476  1
  Sb  Sb2  1  0.0000  0.0000  0.0000  1
  Te  Te3  1  0.5000  0.0000  0.5000  1
  Te  Te4  1  0.5000  0.5000  0.0000  1
  Pb  Pb5  1  0.0000  0.5000  0.5000  1
]