data_Ga3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.6
_cell_length_b   8.6
_cell_length_c   8.6
_cell_angle_alpha   19.96
_cell_angle_beta   19.96
_cell_angle_gamma   19.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Cu
_chemical_formula_sum   'Ga3 Cu1'
_cell_volume   64.83
_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  0.0  0.0  0.49  1.0
  Ga  Ga2  1  0.0  0.0  0.64  1.0
  Ga  Ga3  1  0.0  0.0  0.78  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Ga3Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.16
_cell_length_b   2.98
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   101.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga3Cu
_chemical_formula_sum   'Ga6 Cu2'
_cell_volume   129.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.22  1.0
  Ga  Ga1  2  0.0  0.0  0.36  1.0
  Ga  Ga2  2  0.0  0.0  0.51  1.0
  Cu  Cu3  2  0.0  0.0  0.0  1.0

Ga Ga Ga Cu