data_TlZnTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   142.14
_cell_angle_beta   128.18
_cell_angle_gamma   65.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnTc2
_chemical_formula_sum   'Tl1 Zn1 Tc2'
_cell_volume   66.86
_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  Tl2  1  0.69  0.0  0.35  1.0
  Zn  Zn3  1  0.0  0.0  0.63  1.0
  Tc  Tc0  1  0.69  0.0  0.1  1.0
  Tc  Tc1  1  0.0  0.0  0.01  1.0

data_TlZnTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.54
_cell_length_c   5.2
_cell_angle_alpha   115.91
_cell_angle_beta   108.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnTc2
_chemical_formula_sum   'Tl1 Zn1 Tc2'
_cell_volume   66.86
_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  0.34  0.65  0.34  1.0
  Zn  Zn1  1  0.37  0.37  0.37  1.0
  Tc  Tc2  1  0.59  0.9  0.59  1.0
  Tc  Tc3  1  0.99  0.99  0.99  1.0

Tl Zn Tc Tc
Tl Zn Tc Tc 0 2 o o o 0 1 + o o 1 3 o o + 2 3 + o o 