data_TlRe2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.85
_cell_angle_alpha   101.28
_cell_angle_beta   101.28
_cell_angle_gamma   34.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRe2Tc
_chemical_formula_sum   'Tl1 Re2 Tc1'
_cell_volume   66.64
_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  0.29  0.0  0.37  1.0
  Re  Re0  1  0.77  0.0  0.74  1.0
  Re  Re1  1  0.81  0.0  0.01  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0

data_TlRe2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.85
_cell_length_c   5.01
_cell_angle_alpha   101.28
_cell_angle_beta   107.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRe2Tc
_chemical_formula_sum   'Tl1 Re2 Tc1'
_cell_volume   66.64
_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  0.37  0.29  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.01  0.81  1.0
  Re  Re3  1  0.0  0.74  0.77  1.0

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