data_SiTcOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   2.77
_cell_angle_alpha   102.98
_cell_angle_beta   102.98
_cell_angle_gamma   117.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTcOs2
_chemical_formula_sum   'Si1 Tc1 Os2'
_cell_volume   57.1
_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
  Si  Si2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.64  0.0  0.0  1.0
  Os  Os0  1  0.72  0.83  0.25  1.0
  Os  Os1  1  0.72  0.17  0.25  1.0

data_SiTcOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.79
_cell_length_c   5.07
_cell_angle_alpha   116.37
_cell_angle_beta   102.98
_cell_angle_gamma   95.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTcOs2
_chemical_formula_sum   'Si1 Tc1 Os2'
_cell_volume   57.1
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.64  1.0
  Os  Os2  1  0.08  0.83  0.56  1.0
  Os  Os3  1  0.41  0.17  0.89  1.0

Si Tc Os Os
Si Tc Os Os 0 2 - - - 0 2 - - o 0 1 - o o 1 3 o o o 1 2 o - o 