data_Ba2GaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   8.96
_cell_angle_alpha   103.95
_cell_angle_beta   103.95
_cell_angle_gamma   58.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GaNi
_chemical_formula_sum   'Ba2 Ga1 Ni1'
_cell_volume   144.42
_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
  Ba  Ba0  1  0.14  0.0  0.83  1.0
  Ba  Ba1  1  0.1  0.0  0.78  1.0
  Ga  Ga2  1  0.62  0.0  0.3  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Ba2GaNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.43
_cell_length_c   8.96
_cell_angle_alpha   103.95
_cell_angle_beta   90.0
_cell_angle_gamma   119.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GaNi
_chemical_formula_sum   'Ba2 Ga1 Ni1'
_cell_volume   144.42
_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
  Ba  Ba0  1  0.0  0.86  0.17  1.0
  Ba  Ba1  1  0.0  0.9  0.22  1.0
  Ga  Ga2  1  0.0  0.38  0.7  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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