data_BaAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   9.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAg2
_chemical_formula_sum   'Ba4 Ag8'
_cell_volume   326.42
_cell_formula_units_Z   4
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  Ba8  1  0.1  0.79  0.46  1.0
  Ba  Ba9  1  0.0  0.58  0.55  1.0
  Ba  Ba10  1  0.0  0.58  0.36  1.0
  Ba  Ba11  1  0.1  0.79  0.27  1.0
  Ag  Ag0  1  0.0  0.0  0.91  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.59  0.49  0.37  1.0
  Ag  Ag3  1  0.51  0.87  0.46  1.0
  Ag  Ag4  1  0.41  0.49  0.37  1.0
  Ag  Ag5  1  0.0  0.74  0.37  1.0
  Ag  Ag6  1  0.1  0.62  0.46  1.0
  Ag  Ag7  1  0.69  0.87  0.46  1.0

data_BaAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   9.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAg2
_chemical_formula_sum   'Ba4 Ag8'
_cell_volume   326.42
_cell_formula_units_Z   4
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  0.58  0.36  1.0
  Ba  Ba1  1  -0.0  0.58  0.55  1.0
  Ba  Ba2  1  0.1  0.79  0.27  1.0
  Ba  Ba3  1  0.1  0.79  0.46  1.0
  Ag  Ag4  1  -0.0  0.74  0.37  1.0
  Ag  Ag5  1  0.0  0.0  0.0  1.0
  Ag  Ag6  1  0.0  0.0  0.91  1.0
  Ag  Ag7  1  0.1  0.62  0.46  1.0
  Ag  Ag8  1  0.41  0.49  0.37  1.0
  Ag  Ag9  1  0.51  0.87  0.46  1.0
  Ag  Ag10  1  0.59  0.49  0.37  1.0
  Ag  Ag11  1  0.69  0.87  0.46  1.0

Ba Ba Ba Ba Ag Ag Ag Ag Ag Ag Ag Ag