data_TcBRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   135.54
_cell_angle_beta   135.54
_cell_angle_gamma   64.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBRu2
_chemical_formula_sum   'Tc1 B1 Ru2'
_cell_volume   50.37
_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
  Tc  Tc3  1  0.0  0.78  0.99  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.78  0.0  0.99  1.0
  Ru  Ru2  1  0.0  0.0  0.97  1.0

data_TcBRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   122.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcBRu2
_chemical_formula_sum   'Tc2 B2 Ru4'
_cell_volume   100.74
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Tc  Tc0  2  0.28  0.5  0.79  1.0
  B  B1  2  0.49  0.5  0.0  1.0
  Ru  Ru2  2  0.0  0.0  0.79  1.0
  Ru  Ru3  2  0.01  0.0  0.03  1.0

Tc B Ru Ru