data_GaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   2.87
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi
_chemical_formula_sum   'Ga2 Ni2'
_cell_volume   49.93
_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  Ga0  1  0.11  0.43  0.22  1.0
  Ga  Ga1  1  0.04  0.43  0.98  1.0
  Ni  Ni2  1  0.11  0.0  0.14  1.0
  Ni  Ni3  1  0.04  0.0  0.06  1.0

data_GaNi
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.15
_cell_length_b   2.87
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   GaNi
_chemical_formula_sum   'Ga2 Ni2'
_cell_volume   49.93
_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  0.04  0.43  0.12  1.0
  Ni  Ni1  2  0.04  0.0  0.04  1.0

Ga Ga Ni Ni
Ga Ga Ni Ni 0 1 o o - 2 3 o o o 