data_AlGaNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.07
_cell_angle_alpha   106.37
_cell_angle_beta   106.37
_cell_angle_gamma   36.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaNi2
_chemical_formula_sum   'Al1 Ga1 Ni2'
_cell_volume   49.32
_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
  Al  Al0  1  0.78  0.0  0.16  1.0
  Ga  Ga1  1  0.27  0.0  0.75  1.0
  Ni  Ni2  1  0.96  0.0  0.21  1.0
  Ni  Ni3  1  0.33  0.0  0.71  1.0

data_AlGaNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.07
_cell_length_c   4.62
_cell_angle_alpha   106.37
_cell_angle_beta   108.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaNi2
_chemical_formula_sum   'Al1 Ga1 Ni2'
_cell_volume   49.32
_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
  Al  Al0  1  0.0  0.16  0.78  1.0
  Ga  Ga1  1  0.0  0.75  0.27  1.0
  Ni  Ni2  1  0.0  0.21  0.96  1.0
  Ni  Ni3  1  0.0  0.71  0.33  1.0

Al Ga Ni Ni
Al Ga Ni Ni 0 2 o o o 1 3 o o o 