data_[Ge4As2Pd16]
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 [C2/m]
_cell_length_a [14.9186]
_cell_length_b [4.1730]
_cell_length_c [5.8011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ge2AsPd8]
_chemical_formula_sum '[Ge4 As2 Pd16]'
_cell_volume [343.6449]
_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
[
  Ge  Ge0  4  0.1805  0.0000  0.7003  1.0
  As  As1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  4  0.0261  0.0000  0.7765  1.0
  Pd  Pd3  4  0.0939  0.5000  0.4493  1.0
  Pd  Pd4  4  0.1649  0.5000  0.9657  1.0
  Pd  Pd5  4  0.2031  0.0000  0.3039  1.0
]