data_[Sm4Te28Pb20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.4940]
_cell_length_b [4.5323]
_cell_length_c [26.6607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SmTe7Pb5]
_chemical_formula_sum '[Sm4 Te28 Pb20]'
_cell_volume [1872.1623]
_cell_formula_units_Z [4]
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
[
  Sm  Sm0  2  0.1905  0.0000  0.7625  1
  Sm  Sm1  2  0.2893  0.5000  0.2626  1
  Te  Te2  2  0.0583  0.5000  0.7450  1
  Te  Te3  2  0.0741  0.0000  0.6093  1
  Te  Te4  2  0.1154  0.0000  0.8751  1
  Te  Te5  2  0.1260  0.5000  0.4664  1
  Te  Te6  2  0.1528  0.5000  0.0350  1
  Te  Te7  2  0.1731  0.0000  0.3194  1
  Te  Te8  2  0.2055  0.0000  0.1841  1
  Te  Te9  2  0.3045  0.5000  0.7003  1
  Te  Te10  2  0.3218  0.5000  0.8068  1
  Te  Te11  2  0.3491  0.0000  0.5386  1
  Te  Te12  2  0.3758  0.0000  0.9603  1
  Te  Te13  2  0.3838  0.5000  0.3752  1
  Te  Te14  2  0.4310  0.5000  0.1066  1
  Te  Te15  2  0.4317  0.0000  0.2466  1
  Pb  Pb16  2  0.0125  0.0000  0.0021  1
  Pb  Pb17  2  0.0280  0.5000  0.3475  1
  Pb  Pb18  2  0.0570  0.5000  0.1548  1
  Pb  Pb19  2  0.2144  0.5000  0.5703  1
  Pb  Pb20  2  0.2403  0.5000  0.9315  1
  Pb  Pb21  2  0.2641  0.0000  0.4235  1
  Pb  Pb22  2  0.2916  0.0000  0.0775  1
  Pb  Pb23  2  0.4485  0.0000  0.6468  1
  Pb  Pb24  2  0.4788  0.0000  0.8505  1
  Pb  Pb25  2  0.4897  0.5000  0.5016  1
]