data_GaPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   4.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   85.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPd3
_chemical_formula_sum   'Ga2 Pd6'
_cell_volume   133.44
_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  1  1.0  0.76  0.12  1.0
  Ga  Ga1  1  1.0  0.24  0.37  1.0
  Pd  Pd2  1  1.0  0.87  0.37  1.0
  Pd  Pd3  1  1.0  0.13  0.12  1.0
  Pd  Pd4  1  0.65  0.41  0.37  1.0
  Pd  Pd5  1  0.34  0.59  0.12  1.0
  Pd  Pd6  1  0.34  0.41  0.37  1.0
  Pd  Pd7  1  0.65  0.59  0.12  1.0

data_GaPd3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.49
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   94.08
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GaPd3
_chemical_formula_sum   'Ga2 Pd6'
_cell_volume   133.44
_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
  Ga  Ga0  2  0.38  0.5  0.76  1.0
  Pd  Pd1  2  0.38  0.16  0.59  1.0
  Pd  Pd2  2  0.38  0.5  0.13  1.0
  Pd  Pd3  2  0.38  0.84  0.59  1.0

Ga Ga Pd Pd Pd Pd Pd Pd