data_TaAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   9.78
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAg3
_chemical_formula_sum   'Ta4 Ag12'
_cell_volume   288.17
_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
  Ta  Ta12  1  0.22  0.34  0.84  1.0
  Ta  Ta13  1  0.31  0.45  0.93  1.0
  Ta  Ta14  1  0.75  0.34  0.9  1.0
  Ta  Ta15  1  0.83  0.45  0.98  1.0
  Ag  Ag0  1  0.73  0.45  0.99  1.0
  Ag  Ag1  1  0.26  0.74  0.24  1.0
  Ag  Ag2  1  0.26  0.94  0.24  1.0
  Ag  Ag3  1  0.27  0.85  0.16  1.0
  Ag  Ag4  1  0.27  0.04  0.16  1.0
  Ag  Ag5  1  0.86  0.34  0.07  1.0
  Ag  Ag6  1  0.2  0.45  0.75  1.0
  Ag  Ag7  1  0.78  0.74  0.67  1.0
  Ag  Ag8  1  0.78  0.94  0.67  1.0
  Ag  Ag9  1  0.8  0.85  0.58  1.0
  Ag  Ag10  1  0.8  0.04  0.58  1.0
  Ag  Ag11  1  0.33  0.34  0.84  1.0

data_TaAg3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.06
_cell_length_b   5.83
_cell_length_c   9.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaAg3
_chemical_formula_sum   'Ta4 Ag12'
_cell_volume   288.17
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ta  Ta0  2  0.22  0.98  0.45  1.0
  Ta  Ta1  2  0.31  0.07  0.55  1.0
  Ag  Ag2  2  0.2  0.07  0.55  1.0
  Ag  Ag3  2  0.26  0.76  0.04  1.0
  Ag  Ag4  2  0.26  0.76  0.85  1.0
  Ag  Ag5  2  0.27  0.67  0.15  1.0
  Ag  Ag6  2  0.27  0.67  0.96  1.0
  Ag  Ag7  2  0.33  0.16  0.45  1.0

Ta Ta Ta Ta Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag