data_Ga2BPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2BPd
_chemical_formula_sum   'Ga2 B1 Pd1'
_cell_volume   56.39
_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  Ga1  1  0.72  0.0  0.35  1.0
  Ga  Ga2  1  0.72  0.0  0.23  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.29  1.0

data_Ga2BPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2BPd
_chemical_formula_sum   'Ga2 B1 Pd1'
_cell_volume   56.39
_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  0.72  0.0  0.23  1.0
  Ga  Ga1  1  0.72  0.0  0.35  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.29  1.0

Ga Ga B Pd
Ga Ga B Pd 0 3 + o o 0 1 o o o 1 3 + o o 1 2 + o o 2 3 o o o 