data_HPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HPd
_chemical_formula_sum   'H2 Pd2'
_cell_volume   37.61
_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
  H  H0  1  0.47  0.85  0.54  1.0
  H  H1  1  0.0  0.7  0.04  1.0
  Pd  Pd2  1  0.47  0.85  0.35  1.0
  Pd  Pd3  1  0.0  0.7  0.84  1.0

data_HPd
_symmetry_space_group_name_H-M   P2_1
_cell_length_a   2.94
_cell_length_b   5.01
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   4
_chemical_formula_structural   HPd
_chemical_formula_sum   'H2 Pd2'
_cell_volume   37.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, y+1/2, -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
  H  H0  2  0.24  0.46  0.57  1.0
  Pd  Pd1  2  0.24  0.65  0.57  1.0

H H Pd Pd