data_Ga2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2Cu
_chemical_formula_sum   'Ga6 Cu3'
_cell_volume   142.14
_cell_formula_units_Z   3
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  Ga3  1  0.91  0.0  0.72  1.0
  Ga  Ga4  1  0.05  0.65  0.72  1.0
  Ga  Ga5  1  0.5  0.33  0.72  1.0
  Ga  Ga6  1  0.25  0.0  0.0  1.0
  Ga  Ga7  1  0.87  0.68  0.0  1.0
  Ga  Ga8  1  0.33  0.3  0.0  1.0
  Cu  Cu0  1  0.0  0.99  0.72  1.0
  Cu  Cu1  1  0.46  1.0  0.72  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_Ga2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   6.91
_cell_length_c   6.91
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2Cu
_chemical_formula_sum   'Ga6 Cu3'
_cell_volume   142.14
_cell_formula_units_Z   3
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  0.25  0.0  1.0
  Ga  Ga1  1  0.0  0.33  0.3  1.0
  Ga  Ga2  1  0.0  0.87  0.68  1.0
  Ga  Ga3  1  0.72  0.05  0.65  1.0
  Ga  Ga4  1  0.72  0.5  0.33  1.0
  Ga  Ga5  1  0.72  0.91  0.0  1.0
  Cu  Cu6  1  0.0  0.0  0.0  1.0
  Cu  Cu7  1  0.72  0.0  0.99  1.0
  Cu  Cu8  1  0.72  0.46  1.0  1.0

Ga Ga Ga Ga Ga Ga Cu Cu Cu
Ga Ga Ga Ga Ga Ga Cu Cu Cu 0 6 + - o 0 8 + o + 1 4 - o + 2 5 o o + 3 6 o - - 3 8 o o o 3 5 o o o 3 7 o - - 4 8 + + o 6 8 o + + 