data_BaGa2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   6.36
_cell_angle_alpha   106.44
_cell_angle_beta   106.44
_cell_angle_gamma   53.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGa2Si
_chemical_formula_sum   'Ba1 Ga2 Si1'
_cell_volume   102.22
_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  0.54  0.0  0.52  1.0
  Ga  Ga1  1  0.93  0.0  0.67  1.0
  Ga  Ga2  1  0.69  0.0  0.57  1.0
  Si  Si3  1  0.18  0.0  0.29  1.0

data_BaGa2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.61
_cell_length_c   6.36
_cell_angle_alpha   106.44
_cell_angle_beta   90.0
_cell_angle_gamma   116.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGa2Si
_chemical_formula_sum   'Ba1 Ga2 Si1'
_cell_volume   102.22
_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  0.46  0.48  1.0
  Ga  Ga1  1  0.0  0.07  0.33  1.0
  Ga  Ga2  1  0.0  0.31  0.43  1.0
  Si  Si3  1  0.0  0.82  0.71  1.0

Ba Ga Ga Si