data_TiCoTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   2.64
_cell_angle_alpha   99.91
_cell_angle_beta   99.91
_cell_angle_gamma   116.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCoTc2
_chemical_formula_sum   'Ti1 Co1 Tc2'
_cell_volume   55.08
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.61  0.0  0.0  1.0
  Tc  Tc1  1  0.87  0.88  0.25  1.0
  Tc  Tc2  1  0.87  0.12  0.25  1.0

data_TiCoTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   116.81
_cell_angle_beta   99.91
_cell_angle_gamma   99.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCoTc2
_chemical_formula_sum   'Ti1 Co1 Tc2'
_cell_volume   55.08
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.61  0.0  1.0
  Tc  Tc2  1  0.25  0.87  0.88  1.0
  Tc  Tc3  1  0.25  0.87  0.12  1.0

Ti Co Tc Tc