data_[Ge4As4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4698]
_cell_length_b [6.3346]
_cell_length_c [5.7839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [GeAsPd2]
_chemical_formula_sum '[Ge4 As4 Pd8]'
_cell_volume [273.6834]
_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  0.3780  0.0831  0.6869  1.0
  As  As1  4  0.1290  0.5800  0.8095  1.0
  Pd  Pd2  4  0.1305  0.1966  0.9893  1.0
  Pd  Pd3  4  0.3784  0.6904  0.5063  1.0
]