data_SiTc2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   2.72
_cell_angle_alpha   99.82
_cell_angle_beta   99.82
_cell_angle_gamma   116.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTc2Ag
_chemical_formula_sum   'Si1 Tc2 Ag1'
_cell_volume   59.93
_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
  Si  Si1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.9  0.17  0.28  1.0
  Tc  Tc3  1  0.9  0.83  0.28  1.0
  Ag  Ag0  1  0.68  0.0  0.0  1.0

data_SiTc2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   116.58
_cell_angle_beta   99.82
_cell_angle_gamma   99.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTc2Ag
_chemical_formula_sum   'Si1 Tc2 Ag1'
_cell_volume   59.93
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.28  0.9  0.83  1.0
  Tc  Tc2  1  0.28  0.9  0.17  1.0
  Ag  Ag3  1  -0.0  0.68  0.0  1.0

Si Tc Tc Ag
Si Tc Tc Ag 0 2 - - o 0 1 - o o 1 3 o o o 