data_UPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UPd3
_chemical_formula_sum   'U2 Pd6'
_cell_volume   134.7
_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
  U  U6  1  0.0  0.29  0.2  1.0
  U  U7  1  0.85  0.64  0.59  1.0
  Pd  Pd0  1  0.0  0.62  0.59  1.0
  Pd  Pd1  1  0.45  0.13  0.59  1.0
  Pd  Pd2  1  0.55  0.13  0.59  1.0
  Pd  Pd3  1  0.85  0.32  0.2  1.0
  Pd  Pd4  1  0.4  0.81  0.2  1.0
  Pd  Pd5  1  0.3  0.81  0.2  1.0

data_UPd3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.79
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   UPd3
_chemical_formula_sum   'U2 Pd6'
_cell_volume   134.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  U  U0  2  0.2  0.42  0.18  1.0
  Pd  Pd1  2  0.2  0.02  0.66  1.0
  Pd  Pd2  2  0.2  0.13  0.66  1.0
  Pd  Pd3  2  0.2  0.58  0.15  1.0

U U Pd Pd Pd Pd Pd Pd