data_Ga2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2Cu
_chemical_formula_sum   'Ga8 Cu4'
_cell_volume   219.11
_cell_formula_units_Z   4
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  Ga4  1  0.8  0.81  0.23  1.0
  Ga  Ga5  1  0.23  0.22  0.8  1.0
  Ga  Ga6  1  0.81  0.23  0.8  1.0
  Ga  Ga7  1  0.22  0.8  0.23  1.0
  Ga  Ga8  1  0.23  0.8  0.81  1.0
  Ga  Ga9  1  0.8  0.23  0.22  1.0
  Ga  Ga10  1  0.22  0.22  0.22  1.0
  Ga  Ga11  1  0.81  0.81  0.81  1.0
  Cu  Cu0  1  0.01  0.0  0.01  1.0
  Cu  Cu1  1  0.0  0.01  0.01  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.01  0.01  0.0  1.0

data_Ga2Cu
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.53
_cell_length_b   8.53
_cell_length_c   10.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Ga2Cu
_chemical_formula_sum   'Ga24 Cu12'
_cell_volume   657.32
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.05  0.53  0.75  1.0
  Ga  Ga1  9  0.18  0.38  0.61  1.0
  Ga  Ga2  3  0.0  0.0  0.22  1.0
  Ga  Ga3  3  0.0  0.0  0.81  1.0
  Cu  Cu4  9  0.0  0.01  0.01  1.0
  Cu  Cu5  3  0.0  0.0  0.0  1.0

Ga Ga Ga Ga Ga Ga Ga Ga Cu Cu Cu Cu