data_[Si4Te16Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0723]
_cell_length_b [16.0435]
_cell_length_c [10.5744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SiTe4Pd]
_chemical_formula_sum '[Si4 Te16 Pd4]'
_cell_volume [690.8633]
_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
[
  Si  Si0  4  0.0000  0.2395  0.4264  1
  Te  Te1  4  0.0000  0.0556  0.0507  1
  Te  Te2  4  0.0000  0.0861  0.7914  1
  Te  Te3  4  0.0000  0.3033  0.6568  1
  Te  Te4  4  0.0000  0.3627  0.9785  1
  Pd  Pd5  4  0.0000  0.3066  0.2284  1
]