data_[Ge2As6Pd12]
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/m]
_cell_length_a [10.3127]
_cell_length_b [3.1425]
_cell_length_c [10.3480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ge(AsPd2)3]
_chemical_formula_sum '[Ge2 As6 Pd12]'
_cell_volume [333.9063]
_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  2  0.3046  0.2500  0.9495  1.0
  As  As1  2  0.0352  0.7500  0.2013  1.0
  As  As2  2  0.1541  0.2500  0.5924  1.0
  As  As3  2  0.4465  0.2500  0.3144  1.0
  Pd  Pd4  2  0.1061  0.7500  0.9563  1.0
  Pd  Pd5  2  0.1894  0.7500  0.4047  1.0
  Pd  Pd6  2  0.2351  0.2500  0.1750  1.0
  Pd  Pd7  2  0.3110  0.7500  0.7560  1.0
  Pd  Pd8  2  0.3937  0.2500  0.5460  1.0
  Pd  Pd9  2  0.4640  0.7500  0.1137  1.0
]