data_Tc2Ag3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.34
_cell_length_b   12.34
_cell_length_c   12.34
_cell_angle_alpha   12.89
_cell_angle_beta   12.89
_cell_angle_gamma   12.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2Ag3
_chemical_formula_sum   'Tc2 Ag3'
_cell_volume   81.19
_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
  Tc  Tc3  1  0.0  0.0  0.66  1.0
  Tc  Tc4  1  0.0  0.0  0.04  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.37  1.0
  Ag  Ag2  1  0.0  0.0  0.32  1.0

data_Tc2Ag3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   2.77
_cell_length_c   12.34
_cell_angle_alpha   90.0
_cell_angle_beta   97.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc2Ag3
_chemical_formula_sum   'Tc4 Ag6'
_cell_volume   162.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.34  1.0
  Tc  Tc1  2  0.0  0.0  0.96  1.0
  Ag  Ag2  2  0.0  0.0  0.0  1.0
  Ag  Ag3  2  0.0  0.0  0.63  1.0
  Ag  Ag4  2  0.0  0.0  0.68  1.0

Tc Tc Ag Ag Ag
Tc Tc Ag Ag Ag 0 0 o + - 0 0 + - o 0 0 + o - 1 2 o o o 3 4 o o o 