data_Ga5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga5Ni
_chemical_formula_sum   'Ga5 Ni1'
_cell_volume   98.19
_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  0.44  0.0  0.27  1.0
  Ga  Ga1  1  0.78  0.36  0.27  1.0
  Ga  Ga2  1  0.28  0.98  0.27  1.0
  Ga  Ga3  1  0.5  0.44  0.0  1.0
  Ga  Ga4  1  0.0  0.89  0.0  1.0
  Ni  Ni5  1  0.0  0.0  0.0  1.0

data_Ga5Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.53
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga5Ni
_chemical_formula_sum   'Ga5 Ni1'
_cell_volume   98.19
_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  0.89  1.0
  Ga  Ga1  1  0.0  0.5  0.44  1.0
  Ga  Ga2  1  0.27  0.28  0.98  1.0
  Ga  Ga3  1  0.27  0.44  0.0  1.0
  Ga  Ga4  1  0.27  0.78  0.36  1.0
  Ni  Ni5  1  0.0  0.0  0.0  1.0

Ga Ga Ga Ga Ga Ni
Ga Ga Ga Ga Ga Ni 0 2 o - o 0 1 o o o 0 3 o o o 1 3 o o o 2 3 o + o 3 5 o o o 3 5 + + o 3 4 o - o 3 4 + o o 4 5 o + o 