data_GaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   147.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaNi
_chemical_formula_sum   'Ga2 Ni2'
_cell_volume   51.14
_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  0.35  0.15  0.01  1.0
  Ga  Ga1  1  0.35  0.85  0.04  1.0
  Ni  Ni2  1  0.35  0.55  0.01  1.0
  Ni  Ni3  1  0.35  0.45  0.04  1.0

data_GaNi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.69
_cell_length_b   4.06
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   106.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GaNi
_chemical_formula_sum   'Ga2 Ni2'
_cell_volume   51.14
_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  0.15  0.51  0.65  1.0
  Ni  Ni1  2  0.45  0.49  0.95  1.0

Ga Ga Ni Ni