data_TcAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   3.84
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcAg2
_chemical_formula_sum   'Tc4 Ag8'
_cell_volume   205.51
_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
  Tc  Tc8  1  0.48  0.96  0.46  1.0
  Tc  Tc9  1  0.5  0.88  0.98  1.0
  Tc  Tc10  1  0.47  0.96  0.98  1.0
  Tc  Tc11  1  0.49  0.88  0.5  1.0
  Ag  Ag0  1  0.92  0.96  0.32  1.0
  Ag  Ag1  1  0.63  0.96  0.3  1.0
  Ag  Ag2  1  0.36  0.88  0.82  1.0
  Ag  Ag3  1  0.07  0.88  0.8  1.0
  Ag  Ag4  1  0.9  0.96  0.16  1.0
  Ag  Ag5  1  0.62  0.96  0.14  1.0
  Ag  Ag6  1  0.35  0.88  0.66  1.0
  Ag  Ag7  1  0.06  0.88  0.64  1.0

data_TcAg2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.84
_cell_length_b   5.98
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TcAg2
_chemical_formula_sum   'Tc4 Ag8'
_cell_volume   205.51
_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
  Tc  Tc0  2  0.04  0.48  0.0  1.0
  Tc  Tc1  2  0.04  0.5  0.48  1.0
  Ag  Ag2  2  0.04  0.63  0.16  1.0
  Ag  Ag3  2  0.04  0.92  0.18  1.0
  Ag  Ag4  2  0.04  0.64  0.32  1.0
  Ag  Ag5  2  0.04  0.93  0.34  1.0

Tc Tc Tc Tc Ag Ag Ag Ag Ag Ag Ag Ag
Tc Tc Tc Tc Ag Ag Ag Ag Ag Ag Ag Ag 0 3 o o o 0 5 o o o 1 2 o o o 1 6 o o o 1 9 o o + 2 6 o o o 2 9 o o + 3 10 o o o 4 8 o o o 4 5 o o o 5 9 o o o 6 10 o o o 6 7 o o o 7 11 o o o 8 9 o o o 10 11 o o o 