data_LaAlGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   133.3
_cell_angle_beta   133.3
_cell_angle_gamma   68.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlGa2
_chemical_formula_sum   'La1 Al1 Ga2'
_cell_volume   90.31
_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  La3  1  0.0  0.21  0.31  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.21  0.0  0.31  1.0
  Ga  Ga2  1  0.0  0.0  0.62  1.0

data_LaAlGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   5.58
_cell_angle_alpha   113.35
_cell_angle_beta   113.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlGa2
_chemical_formula_sum   'La1 Al1 Ga2'
_cell_volume   90.31
_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  0.1  0.31  0.1  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.31  0.1  0.1  1.0
  Ga  Ga3  1  0.62  0.62  0.62  1.0

La Al Ga Ga
La Al Ga Ga 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o - 