data_Tl2TcNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TcNi
_chemical_formula_sum   'Tl2 Tc1 Ni1'
_cell_volume   74.7
_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  0.67  0.0  0.68  1.0
  Tl  Tl3  1  0.67  0.0  0.08  1.0
  Tc  Tc1  1  0.0  0.0  0.38  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_Tl2TcNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TcNi
_chemical_formula_sum   'Tl2 Tc1 Ni1'
_cell_volume   74.7
_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  0.67  0.0  0.08  1.0
  Tl  Tl1  1  0.67  0.0  0.68  1.0
  Tc  Tc2  1  0.0  0.0  0.38  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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