data_Ga2FeCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2FeCu
_chemical_formula_sum   'Ga2 Fe1 Cu1'
_cell_volume   51.42
_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  Ga2  1  0.48  0.48  0.37  1.0
  Ga  Ga3  1  0.48  0.48  0.52  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.94  1.0

data_Ga2FeCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2FeCu
_chemical_formula_sum   'Ga4 Fe2 Cu2'
_cell_volume   102.84
_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  0.48  0.0  0.37  1.0
  Ga  Ga1  2  0.48  0.0  0.52  1.0
  Fe  Fe2  2  0.0  0.0  0.0  1.0
  Cu  Cu3  2  0.0  0.0  0.94  1.0

Ga Ga Fe Cu
Ga Ga Fe Cu 0 1 o o o 2 3 o o - 