data_[Sn4Te2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8510]
_cell_length_b [7.0776]
_cell_length_c [7.0886]
_cell_angle_alpha [68.7281]
_cell_angle_beta [61.1317]
_cell_angle_gamma [86.4040]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sn2TePd4]
_chemical_formula_sum '[Sn4 Te2 Pd8]'
_cell_volume [277.8177]
_cell_formula_units_Z [2]
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
[
  Sn  Sn0  1  0.0427  0.4027  0.1692  1.0
  Sn  Sn1  1  0.5255  0.1581  0.4061  1.0
  Sn  Sn2  1  0.6415  0.9224  0.8681  1.0
  Sn  Sn3  1  0.6913  0.4290  0.7376  1.0
  Te  Te4  1  0.0833  0.9643  0.9693  1.0
  Te  Te5  1  0.2619  0.7321  0.4277  1.0
  Pd  Pd6  1  0.0370  0.2012  0.5809  1.0
  Pd  Pd7  1  0.2883  0.3592  0.7256  1.0
  Pd  Pd8  1  0.3560  0.1299  0.1230  1.0
  Pd  Pd9  1  0.3935  0.7383  0.7432  1.0
  Pd  Pd10  1  0.4375  0.5062  0.1540  1.0
  Pd  Pd11  1  0.7040  0.6282  0.3238  1.0
  Pd  Pd12  1  0.8719  0.9504  0.4176  1.0
  Pd  Pd13  1  0.9156  0.6279  0.8538  1.0
]