data_GaFe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   2.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Pd
_chemical_formula_sum   'Ga1 Fe2 Pd1'
_cell_volume   54.32
_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  Ga2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.29  0.04  0.34  1.0
  Fe  Fe1  1  0.29  0.96  0.34  1.0
  Pd  Pd3  1  0.59  0.0  0.0  1.0

data_GaFe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   113.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe2Pd
_chemical_formula_sum   'Ga1 Fe2 Pd1'
_cell_volume   54.32
_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  0.0  1.0
  Fe  Fe1  1  0.34  0.29  0.04  1.0
  Fe  Fe2  1  0.34  0.29  0.96  1.0
  Pd  Pd3  1  -0.0  0.59  0.0  1.0

Ga Fe Fe Pd
Ga Fe Fe Pd 0 3 - o o 0 2 o - o 0 1 o o o 1 2 o - o 1 3 o o o 2 3 o + o 