data_BaLa2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15
_cell_length_b   7.15
_cell_length_c   7.15
_cell_angle_alpha   147.86
_cell_angle_beta   131.25
_cell_angle_gamma   59.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Ga
_chemical_formula_sum   'Ba1 La2 Ga1'
_cell_volume   145.01
_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  0.0  0.21  1.0
  La  La2  1  0.0  0.95  0.7  1.0
  La  La3  1  0.98  0.0  0.5  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0

data_BaLa2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   5.9
_cell_length_c   7.15
_cell_angle_alpha   114.38
_cell_angle_beta   106.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2Ga
_chemical_formula_sum   'Ba1 La2 Ga1'
_cell_volume   145.01
_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  0.21  0.21  1.0
  La  La1  1  0.0  0.5  0.53  1.0
  La  La2  1  0.05  0.75  0.75  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

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