data_BaLi2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   3.76
_cell_angle_alpha   105.5
_cell_angle_beta   105.5
_cell_angle_gamma   119.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2Ga
_chemical_formula_sum   'Ba1 Li2 Ga1'
_cell_volume   117.81
_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  0.29  0.0  0.0  1.0
  Li  Li2  1  0.66  0.8  0.6  1.0
  Li  Li3  1  0.66  0.2  0.6  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0

data_BaLi2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   5.6
_cell_length_c   6.5
_cell_angle_alpha   114.61
_cell_angle_beta   105.5
_cell_angle_gamma   92.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2Ga
_chemical_formula_sum   'Ba1 Li2 Ga1'
_cell_volume   117.81
_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  0.29  1.0
  Li  Li1  1  0.4  0.8  0.46  1.0
  Li  Li2  1  0.8  0.2  0.85  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

Ba Li Li Ga