data_BaLaAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaAg2
_chemical_formula_sum   'Ba1 La1 Ag2'
_cell_volume   129.63
_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  Ba2  1  0.0  0.0  0.82  1.0
  La  La3  1  0.93  0.93  0.26  1.0
  Ag  Ag0  1  0.0  0.0  0.33  1.0
  Ag  Ag1  1  0.93  0.93  0.66  1.0

data_BaLaAg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaLaAg2
_chemical_formula_sum   'Ba2 La2 Ag4'
_cell_volume   259.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.82  1.0
  La  La1  2  0.43  0.5  0.26  1.0
  Ag  Ag2  2  0.0  0.0  0.33  1.0
  Ag  Ag3  2  0.43  0.5  0.66  1.0

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