data_[Ag2Ge1B1Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3459]
_cell_length_b [5.6835]
_cell_length_c [5.7483]
_cell_angle_alpha [74.6956]
_cell_angle_beta [71.6021]
_cell_angle_gamma [79.1879]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ag2GeBPd6]
_chemical_formula_sum '[Ag2 Ge1 B1 Pd6]'
_cell_volume [158.8075]
_cell_formula_units_Z [1]
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
[
  Ag  Ag0  2  0.3457  0.1944  0.1303  1.0
  Ge  Ge1  1  0.0000  0.0000  0.0000  1.0
  B  B2  1  0.5000  0.5000  0.5000  1.0
  Pd  Pd3  2  0.2049  0.6440  0.3014  1.0
  Pd  Pd4  2  0.2049  0.6310  0.8006  1.0
  Pd  Pd5  2  0.3387  0.1723  0.6221  1.0
]