data_TcOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   6.47
_cell_angle_alpha   103.15
_cell_angle_beta   103.15
_cell_angle_gamma   30.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcOs
_chemical_formula_sum   'Tc3 Os3'
_cell_volume   86.45
_cell_formula_units_Z   3
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  0.14  0.0  0.09  1.0
  Tc  Tc4  1  0.61  0.0  0.84  1.0
  Tc  Tc5  1  0.76  0.0  0.95  1.0
  Os  Os0  1  0.43  0.0  0.29  1.0
  Os  Os1  1  0.46  0.0  0.75  1.0
  Os  Os2  1  0.31  0.0  0.2  1.0

data_TcOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.17
_cell_length_c   6.47
_cell_angle_alpha   103.15
_cell_angle_beta   90.0
_cell_angle_gamma   105.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcOs
_chemical_formula_sum   'Tc3 Os3'
_cell_volume   86.45
_cell_formula_units_Z   3
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  0.0  0.24  0.05  1.0
  Tc  Tc1  1  0.0  0.39  0.16  1.0
  Tc  Tc2  1  0.0  0.86  0.91  1.0
  Os  Os3  1  0.0  0.54  0.25  1.0
  Os  Os4  1  0.0  0.57  0.71  1.0
  Os  Os5  1  0.0  0.69  0.8  1.0

Tc Tc Tc Os Os Os