data_[Sc4Te12Pd4Pb4]
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
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0310]
_cell_length_b [14.8517]
_cell_length_c [11.0390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ScTe3PdPb]
_chemical_formula_sum '[Sc4 Te12 Pd4 Pb4]'
_cell_volume [660.8706]
_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  4  0.0000  0.0000  0.0000  1
  Te  Te1  8  0.0000  0.3596  0.0360  1
  Te  Te2  4  0.0000  0.0767  0.2500  1
  Pd  Pd3  4  0.0000  0.4538  0.2500  1
  Pb  Pb4  4  0.0000  0.2054  0.7500  1
]