data_TcBOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   3.76
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBOs2
_chemical_formula_sum   'Tc1 B1 Os2'
_cell_volume   51.82
_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  0.38  0.88  0.52  1.0
  B  B0  1  0.0  0.0  0.75  1.0
  Os  Os1  1  0.38  0.88  0.86  1.0
  Os  Os2  1  0.0  0.0  0.32  1.0

data_TcBOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.76
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBOs2
_chemical_formula_sum   'Tc1 B1 Os2'
_cell_volume   51.82
_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  Tc0  1  0.38  0.88  0.52  1.0
  B  B1  1  0.0  0.0  0.75  1.0
  Os  Os2  1  0.0  0.0  0.32  1.0
  Os  Os3  1  0.38  0.88  0.86  1.0

Tc B Os Os
Tc B Os Os 0 3 o + o 0 1 o + o 0 2 o o o 1 2 o - o 