data_[Ga2Pd13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8778]
_cell_length_b [6.3586]
_cell_length_c [8.0859]
_cell_angle_alpha [71.7872]
_cell_angle_beta [74.8433]
_cell_angle_gamma [82.0800]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ga2Pd13]
_chemical_formula_sum '[Ga2 Pd13]'
_cell_volume [229.5119]
_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
[
  Ga  Ga0  2  0.1494  0.7846  0.4607  1.0
  Pd  Pd1  2  0.0568  0.4057  0.7237  1.0
  Pd  Pd2  2  0.2089  0.1890  0.2147  1.0
  Pd  Pd3  2  0.2601  0.6002  0.9364  1.0
  Pd  Pd4  2  0.3007  0.0015  0.6561  1.0
  Pd  Pd5  2  0.4189  0.3954  0.3983  1.0
  Pd  Pd6  2  0.4736  0.8005  0.1383  1.0
  Pd  Pd7  1  0.0000  0.0000  0.0000  1.0
]