data_La2GaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   7.56
_cell_angle_alpha   102.49
_cell_angle_beta   102.49
_cell_angle_gamma   53.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2GaNi
_chemical_formula_sum   'La2 Ga1 Ni1'
_cell_volume   108.36
_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
  La  La1  1  0.57  0.0  0.74  1.0
  La  La2  1  0.28  0.0  0.59  1.0
  Ga  Ga0  1  0.92  0.0  0.67  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_La2GaNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.29
_cell_length_c   7.56
_cell_angle_alpha   102.49
_cell_angle_beta   90.0
_cell_angle_gamma   116.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2GaNi
_chemical_formula_sum   'La2 Ga1 Ni1'
_cell_volume   108.36
_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
  La  La0  1  0.0  0.43  0.26  1.0
  La  La1  1  0.0  0.72  0.41  1.0
  Ga  Ga2  1  0.0  0.08  0.33  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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