data_TlTc2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.7
_cell_angle_alpha   102.37
_cell_angle_beta   102.37
_cell_angle_gamma   35.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTc2Ni
_chemical_formula_sum   'Tl1 Tc2 Ni1'
_cell_volume   63.46
_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  0.13  0.0  0.29  1.0
  Tc  Tc1  1  0.64  0.0  0.95  1.0
  Tc  Tc2  1  0.62  0.0  0.63  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_TlTc2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.7
_cell_length_c   4.89
_cell_angle_alpha   102.37
_cell_angle_beta   107.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTc2Ni
_chemical_formula_sum   'Tl1 Tc2 Ni1'
_cell_volume   63.46
_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  0.29  0.13  1.0
  Tc  Tc1  1  0.0  0.63  0.62  1.0
  Tc  Tc2  1  0.0  0.95  0.64  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Tl Tc Tc Ni