data_GaCoCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   2.61
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCoCu2
_chemical_formula_sum   'Ga1 Co1 Cu2'
_cell_volume   49.98
_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  Ga3  1  0.0  0.0  0.68  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.3  0.3  0.77  1.0
  Cu  Cu2  1  0.3  0.3  0.58  1.0

data_GaCoCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaCoCu2
_chemical_formula_sum   'Ga2 Co2 Cu4'
_cell_volume   99.96
_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  0.68  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Cu  Cu2  2  0.3  0.0  0.58  1.0
  Cu  Cu3  2  0.3  0.0  0.77  1.0

Ga Co Cu Cu
Ga Co Cu Cu 0 3 o o o 0 2 o o o 0 1 o o + 1 2 - o - 1 2 o - - 1 2 o o - 1 1 + o o 1 1 o + o 2 3 o o o 