data_Tc2AgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2AgCl
_chemical_formula_sum   'Tc2 Ag1 Cl1'
_cell_volume   64.21
_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  Tc2  1  0.44  0.07  0.35  1.0
  Tc  Tc3  1  0.44  0.93  0.35  1.0
  Ag  Ag0  1  0.88  0.0  0.0  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Tc2AgCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   110.27
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2AgCl
_chemical_formula_sum   'Tc2 Ag1 Cl1'
_cell_volume   64.21
_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  Tc0  1  0.35  0.44  0.07  1.0
  Tc  Tc1  1  0.35  0.44  0.93  1.0
  Ag  Ag2  1  0.0  0.88  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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