data_Ga2CuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.42
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   91.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CuNi
_chemical_formula_sum   'Ga2 Cu1 Ni1'
_cell_volume   52.52
_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  0.3  0.71  0.18  1.0
  Ga  Ga2  1  0.39  0.71  0.33  1.0
  Cu  Cu0  1  0.95  0.0  0.75  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Ga2CuNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.42
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   91.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2CuNi
_chemical_formula_sum   'Ga2 Cu1 Ni1'
_cell_volume   52.52
_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  Ga0  1  0.3  0.71  0.18  1.0
  Ga  Ga1  1  0.39  0.71  0.33  1.0
  Cu  Cu2  1  0.95  0.0  0.75  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Ga Ga Cu Ni
Ga Ga Cu Ni 0 1 o o o 0 3 o + o 2 3 + o + 