data_[Sm4In4Te20Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4460]
_cell_length_b [20.4571]
_cell_length_c [14.2799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SmInTe5Pb2]
_chemical_formula_sum '[Sm4 In4 Te20 Pb8]'
_cell_volume [1298.8017]
_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  4  0.0000  0.1961  0.0206  1
  In  In1  4  0.0000  0.4485  0.4312  1
  Te  Te2  4  0.0000  0.0392  0.0539  1
  Te  Te3  4  0.0000  0.2988  0.6773  1
  Te  Te4  4  0.0000  0.3154  0.3636  1
  Te  Te5  4  0.0000  0.3488  0.0136  1
  Te  Te6  4  0.0000  0.4765  0.7692  1
  Pb  Pb7  4  0.0000  0.1253  0.3270  1
  Pb  Pb8  4  0.0000  0.1488  0.6676  1
]