data_[Ga1H2Pd9Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7142]
_cell_length_b [5.7142]
_cell_length_c [8.6557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [GaH2(Pd3Pb)3]
_chemical_formula_sum '[Ga1 H2 Pd9 Pb3]'
_cell_volume [244.7638]
_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  1  0.0000  0.0000  0.5000  1.0
  Pd  Pd1  6  0.1698  0.3397  0.7166  1.0
  Pd  Pd2  3  0.0000  0.5000  0.0000  1.0
  H  H3  2  0.3333  0.6667  0.8985  1.0
  Pb  Pb4  2  0.3333  0.6667  0.3725  1.0
  Pb  Pb5  1  0.0000  0.0000  0.0000  1.0
]