data_[Sc8Te16Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2318]
_cell_length_b [13.9734]
_cell_length_c [14.6544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sc2Te4Pb]
_chemical_formula_sum '[Sc8 Te16 Pb4]'
_cell_volume [866.5552]
_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
[
  Sc  Sc0  8  0.0000  0.1371  0.0633  1
  Te  Te1  8  0.0000  0.2301  0.6146  1
  Te  Te2  4  0.0000  0.0640  0.2500  1
  Te  Te3  4  0.0000  0.5000  0.0000  1
  Pb  Pb4  4  0.0000  0.4019  0.2500  1
]