data_MgGa2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   139.41
_cell_angle_beta   130.83
_cell_angle_gamma   65.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGa2Ni
_chemical_formula_sum   'Mg1 Ga2 Ni1'
_cell_volume   62.05
_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
  Mg  Mg2  1  0.0  0.0  0.36  1.0
  Ga  Ga0  1  0.0  0.0  0.28  1.0
  Ga  Ga1  1  0.75  0.0  0.06  1.0
  Ni  Ni3  1  0.0  0.1  0.25  1.0

data_MgGa2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.19
_cell_length_c   5.04
_cell_angle_alpha   114.58
_cell_angle_beta   110.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGa2Ni
_chemical_formula_sum   'Mg1 Ga2 Ni1'
_cell_volume   62.05
_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
  Mg  Mg0  1  0.0  0.36  0.36  1.0
  Ga  Ga1  1  0.0  0.06  0.31  1.0
  Ga  Ga2  1  0.0  0.28  0.28  1.0
  Ni  Ni3  1  0.9  0.15  0.15  1.0

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