data_[Ge4Te8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9910]
_cell_length_b [4.1296]
_cell_length_c [8.6866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GeTe2Pd]
_chemical_formula_sum '[Ge4 Te8 Pd4]'
_cell_volume [419.9226]
_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
[
  Ge  Ge0  4  0.1829  0.5000  0.4777  1
  Te  Te1  4  0.0467  0.5000  0.7226  1
  Te  Te2  4  0.1772  0.5000  0.1265  1
  Pd  Pd3  4  0.1067  0.0000  0.9302  1
]