data_[Ga16Ag4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9155]
_cell_length_b [4.3655]
_cell_length_c [5.5814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga8Ag2Pd]
_chemical_formula_sum '[Ga16 Ag4 Pd2]'
_cell_volume [407.6837]
_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
[
  Ga  Ga0  4  0.0002  0.0000  0.2646  1.0
  Ga  Ga1  4  0.1234  0.5000  0.7861  1.0
  Ga  Ga2  4  0.1323  0.5000  0.3011  1.0
  Ga  Ga3  4  0.2083  0.0000  0.0871  1.0
  Ag  Ag4  4  0.1885  0.0000  0.5775  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]