data_Ga2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   104.16
_cell_angle_beta   104.16
_cell_angle_gamma   120.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2Cu
_chemical_formula_sum   'Ga4 Cu2'
_cell_volume   93.65
_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  Ga2  1  0.95  0.13  0.48  1.0
  Ga  Ga3  1  0.13  0.95  0.0  1.0
  Ga  Ga4  1  0.95  0.03  0.0  1.0
  Ga  Ga5  1  0.13  0.05  0.48  1.0
  Cu  Cu0  1  0.0  0.0  0.24  1.0
  Cu  Cu1  1  0.0  0.0  0.71  1.0

data_Ga2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.95
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   75.84
_cell_angle_beta   60.36
_cell_angle_gamma   60.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2Cu
_chemical_formula_sum   'Ga4 Cu2'
_cell_volume   93.65
_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  0.03  0.92  -0.0  1.0
  Ga  Ga1  1  0.05  0.08  0.52  1.0
  Ga  Ga2  1  0.13  0.83  0.52  1.0
  Ga  Ga3  1  0.95  0.17  0.0  1.0
  Cu  Cu4  1  0.0  0.0  0.29  1.0
  Cu  Cu5  1  0.0  0.0  0.76  1.0

Ga Ga Ga Ga Cu Cu