data_TlTc2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTc2Ag
_chemical_formula_sum   'Tl1 Tc2 Ag1'
_cell_volume   69.58
_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
  Tl  Tl3  1  0.69  0.0  0.0  1.0
  Tc  Tc1  1  0.35  0.21  0.47  1.0
  Tc  Tc2  1  0.35  0.79  0.47  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_TlTc2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   117.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTc2Ag
_chemical_formula_sum   'Tl1 Tc2 Ag1'
_cell_volume   69.58
_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
  Tl  Tl0  1  0.0  0.69  0.0  1.0
  Tc  Tc1  1  0.47  0.35  0.21  1.0
  Tc  Tc2  1  0.47  0.35  0.79  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

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