data_GaPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPd2
_chemical_formula_sum   'Ga2 Pd4'
_cell_volume   91.0
_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  0.0  0.5  0.4  1.0
  Ga  Ga1  1  0.17  0.25  0.19  1.0
  Pd  Pd2  1  0.0  0.0  0.79  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0
  Pd  Pd4  1  0.0  0.5  0.19  1.0
  Pd  Pd5  1  0.17  0.25  0.4  1.0

data_GaPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPd2
_chemical_formula_sum   'Ga2 Pd4'
_cell_volume   91.0
_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  0.0  0.5  0.4  1.0
  Ga  Ga1  1  0.17  0.25  0.19  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.79  1.0
  Pd  Pd4  1  0.0  0.5  0.19  1.0
  Pd  Pd5  1  0.17  0.25  0.4  1.0

Ga Ga Pd Pd Pd Pd
Ga Ga Pd Pd Pd Pd 0 4 o o o 1 5 o o o 2 3 o o + 