data_TlCoTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   143.39
_cell_angle_beta   133.18
_cell_angle_gamma   60.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoTc2
_chemical_formula_sum   'Tl1 Co1 Tc2'
_cell_volume   61.16
_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  0.0  0.0  0.5  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.07  0.34  1.0
  Tc  Tc2  1  0.64  0.0  0.16  1.0

data_TlCoTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.15
_cell_length_c   5.22
_cell_angle_alpha   113.41
_cell_angle_beta   108.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoTc2
_chemical_formula_sum   'Tl1 Co1 Tc2'
_cell_volume   61.16
_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  0.5  0.5  0.5  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.48  0.84  0.48  1.0
  Tc  Tc3  1  0.66  0.74  0.74  1.0

Tl Co Tc Tc
Tl Co Tc Tc 0 2 o o o 0 3 - o o 1 2 o o o 2 3 - o o 