data_GaCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   4.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   157.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCu2
_chemical_formula_sum   'Ga2 Cu4'
_cell_volume   75.43
_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  Ga4  1  0.32  0.26  0.16  1.0
  Ga  Ga5  1  0.32  0.74  0.05  1.0
  Cu  Cu0  1  0.32  0.23  0.16  1.0
  Cu  Cu1  1  0.32  0.76  0.16  1.0
  Cu  Cu2  1  0.32  0.77  0.05  1.0
  Cu  Cu3  1  0.32  0.24  0.05  1.0

data_GaCu2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.64
_cell_length_b   4.22
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   101.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GaCu2
_chemical_formula_sum   'Ga2 Cu4'
_cell_volume   75.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.26  0.45  0.76  1.0
  Cu  Cu1  2  0.23  0.45  0.73  1.0
  Cu  Cu2  2  0.24  0.55  0.74  1.0

Ga Ga Cu Cu Cu Cu