data_TaTc2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   2.75
_cell_angle_alpha   99.87
_cell_angle_beta   99.87
_cell_angle_gamma   117.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTc2Ru
_chemical_formula_sum   'Ta1 Tc2 Ru1'
_cell_volume   61.36
_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
  Ta  Ta1  1  0.67  0.0  0.0  1.0
  Tc  Tc2  1  0.88  0.79  0.3  1.0
  Tc  Tc3  1  0.88  0.21  0.3  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0

data_TaTc2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.14
_cell_length_c   5.16
_cell_angle_alpha   116.54
_cell_angle_beta   99.87
_cell_angle_gamma   101.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTc2Ru
_chemical_formula_sum   'Ta1 Tc2 Ru1'
_cell_volume   61.36
_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
  Ta  Ta0  1  0.0  0.0  0.67  1.0
  Tc  Tc1  1  0.09  0.79  0.67  1.0
  Tc  Tc2  1  0.51  0.21  0.09  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Ta Tc Tc Ru
Ta Tc Tc Ru 0 2 o o o 0 3 + o o 1 3 + + o 2 3 + o o 