data_BaGa2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.67
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   100.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGa2Ag
_chemical_formula_sum   'Ba1 Ga2 Ag1'
_cell_volume   114.18
_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  Ba1  1  0.81  0.0  0.64  1.0
  Ga  Ga2  1  0.14  0.33  0.69  1.0
  Ga  Ga3  1  0.47  0.33  0.6  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_BaGa2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   4.67
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   100.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGa2Ag
_chemical_formula_sum   'Ba1 Ga2 Ag1'
_cell_volume   114.18
_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  0.81  0.0  0.64  1.0
  Ga  Ga1  1  0.14  0.33  0.69  1.0
  Ga  Ga2  1  0.47  0.33  0.6  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

Ba Ga Ga Ag
Ba Ga Ga Ag 0 2 o o o 0 1 + o o 0 3 + o + 1 2 o o o 