data_[Te2Pd2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0296]
_cell_length_b [3.8211]
_cell_length_c [8.7872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TePdSe4]
_chemical_formula_sum '[Te2 Pd2 Se8]'
_cell_volume [326.0306]
_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
[
  Te  Te0  2  0.0000  0.5000  0.5000  1
  Pd  Pd1  2  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.1429  0.5000  0.2107  1
  Se  Se3  4  0.1548  0.0000  0.7903  1
]