data_ZrTiTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   140.0
_cell_angle_beta   140.0
_cell_angle_gamma   57.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiTc2
_chemical_formula_sum   'Zr1 Ti1 Tc2'
_cell_volume   67.67
_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  0.88  0.0  0.4  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Tc  Tc0  1  0.0  0.0  0.8  1.0
  Tc  Tc1  1  0.0  0.88  0.4  1.0

data_ZrTiTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   5.49
_cell_angle_alpha   110.0
_cell_angle_beta   110.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiTc2
_chemical_formula_sum   'Zr1 Ti1 Tc2'
_cell_volume   67.67
_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  0.4  0.52  0.52  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.52  0.4  0.52  1.0
  Tc  Tc3  1  0.8  0.8  0.8  1.0

Zr Ti Tc Tc