data_BaTcRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   6.43
_cell_angle_alpha   109.37
_cell_angle_beta   109.37
_cell_angle_gamma   58.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTcRu2
_chemical_formula_sum   'Ba1 Tc1 Ru2'
_cell_volume   96.85
_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
  Ba  Ba0  1  0.58  0.0  0.97  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.08  0.0  0.44  1.0
  Ru  Ru2  1  0.08  0.0  0.51  1.0

data_BaTcRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.36
_cell_length_c   6.43
_cell_angle_alpha   109.37
_cell_angle_beta   90.0
_cell_angle_gamma   119.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTcRu2
_chemical_formula_sum   'Ba1 Tc1 Ru2'
_cell_volume   96.85
_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
  Ba  Ba0  1  0.0  0.42  0.03  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.92  0.49  1.0
  Ru  Ru3  1  0.0  0.92  0.56  1.0

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