data_NaTlTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   146.81
_cell_angle_beta   134.12
_cell_angle_gamma   57.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlTc2
_chemical_formula_sum   'Na1 Tl1 Tc2'
_cell_volume   70.86
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.96  1.0
  Tc  Tc1  1  0.0  0.21  0.39  1.0
  Tc  Tc2  1  0.62  0.0  0.57  1.0

data_NaTlTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.42
_cell_length_c   5.66
_cell_angle_alpha   112.94
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlTc2
_chemical_formula_sum   'Na1 Tl1 Tc2'
_cell_volume   70.86
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.96  0.96  1.0
  Tc  Tc2  1  0.0  0.57  0.95  1.0
  Tc  Tc3  1  0.79  0.18  0.18  1.0

Na Tl Tc Tc