data_Ga4Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga4Pd3
_chemical_formula_sum   'Ga4 Pd3'
_cell_volume   115.82
_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  0.0  0.0  0.42  1.0
  Ga  Ga1  1  0.0  0.0  0.14  1.0
  Ga  Ga2  1  0.0  0.13  0.0  1.0
  Ga  Ga3  1  0.71  0.56  0.0  1.0
  Pd  Pd4  1  0.35  0.35  0.28  1.0
  Pd  Pd5  1  0.71  0.0  0.28  1.0
  Pd  Pd6  1  0.65  0.35  0.28  1.0

data_Ga4Pd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga4Pd3
_chemical_formula_sum   'Ga4 Pd3'
_cell_volume   115.82
_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  0.0  0.71  0.56  1.0
  Ga  Ga1  1  0.0  0.0  0.13  1.0
  Ga  Ga2  1  0.14  0.0  0.0  1.0
  Ga  Ga3  1  0.42  0.0  0.0  1.0
  Pd  Pd4  1  0.28  0.35  0.35  1.0
  Pd  Pd5  1  0.28  0.65  0.35  1.0
  Pd  Pd6  1  0.28  0.71  0.0  1.0

Ga Ga Ga Ga Pd Pd Pd
Ga Ga Ga Ga Pd Pd Pd 0 1 o o o 0 4 o o o 0 5 - o o 1 2 o o o 1 4 o o o 1 5 - o o 2 5 - o o 3 6 o o o 4 6 o o o 5 6 o o o 