data_ZrTl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   3.09
_cell_angle_alpha   99.68
_cell_angle_beta   99.68
_cell_angle_gamma   116.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Tc
_chemical_formula_sum   'Zr1 Tl2 Tc1'
_cell_volume   83.45
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  1.0  0.61  0.47  1.0
  Tl  Tl2  1  1.0  0.39  0.47  1.0
  Tc  Tc0  1  0.98  0.0  0.0  1.0

data_ZrTl2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   116.08
_cell_angle_beta   99.68
_cell_angle_gamma   99.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Tc
_chemical_formula_sum   'Zr1 Tl2 Tc1'
_cell_volume   83.45
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.47  1.0  0.39  1.0
  Tl  Tl2  1  0.47  1.0  0.61  1.0
  Tc  Tc3  1  0.0  0.98  0.0  1.0

Zr Tl Tl Tc