data_Ti2TcRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   2.81
_cell_angle_alpha   102.65
_cell_angle_beta   102.65
_cell_angle_gamma   111.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TcRu
_chemical_formula_sum   'Ti2 Tc1 Ru1'
_cell_volume   60.05
_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  Ti2  1  0.85  0.07  0.29  1.0
  Ti  Ti3  1  0.85  0.93  0.29  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.8  0.0  0.0  1.0

data_Ti2TcRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   111.91
_cell_angle_beta   102.65
_cell_angle_gamma   102.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TcRu
_chemical_formula_sum   'Ti2 Tc1 Ru1'
_cell_volume   60.05
_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  0.29  0.85  0.07  1.0
  Ti  Ti1  1  0.29  0.85  0.93  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.8  0.0  1.0

Ti Ti Tc Ru