data_Ta3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ag
_chemical_formula_sum   'Ta6 Ag2'
_cell_volume   144.67
_cell_formula_units_Z   2
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  Ta2  1  0.37  0.23  0.63  1.0
  Ta  Ta3  1  0.86  0.66  0.63  1.0
  Ta  Ta4  1  0.37  0.77  0.21  1.0
  Ta  Ta5  1  0.35  0.23  0.63  1.0
  Ta  Ta6  1  0.86  0.34  0.21  1.0
  Ta  Ta7  1  0.35  0.77  0.21  1.0
  Ag  Ag0  1  0.86  0.24  0.21  1.0
  Ag  Ag1  1  0.86  0.76  0.63  1.0

data_Ta3Ag
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.84
_cell_length_b   5.73
_cell_length_c   5.95
_cell_angle_alpha   118.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ta3Ag
_chemical_formula_sum   'Ta6 Ag2'
_cell_volume   144.67
_cell_formula_units_Z   2
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  0.21  0.34  0.84  1.0
  Ta  Ta1  2  0.21  0.77  0.76  1.0
  Ta  Ta2  2  0.21  0.77  0.78  1.0
  Ag  Ag3  2  0.21  0.24  0.74  1.0

Ta Ta Ta Ta Ta Ta Ag Ag
Ta Ta Ta Ta Ta Ta Ag Ag 0 3 o o o 1 7 o o o 2 5 o o o 4 6 o o o 