data_Zr2TlTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   139.3
_cell_angle_beta   125.25
_cell_angle_gamma   70.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TlTc
_chemical_formula_sum   'Zr2 Tl1 Tc1'
_cell_volume   82.29
_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  Zr2  1  0.0  0.48  0.51  1.0
  Zr  Zr3  1  0.88  0.0  0.9  1.0
  Tl  Tl1  1  0.0  0.0  0.41  1.0
  Tc  Tc0  1  0.0  0.0  0.0  1.0

data_Zr2TlTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.97
_cell_length_c   5.4
_cell_angle_alpha   117.38
_cell_angle_beta   110.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TlTc
_chemical_formula_sum   'Zr2 Tl1 Tc1'
_cell_volume   82.29
_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  0.9  0.02  1.0
  Zr  Zr1  1  0.52  0.03  0.03  1.0
  Tl  Tl2  1  0.0  0.41  0.41  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

Zr Zr Tl Tc