data_SiTc2Os
_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   132.08
_cell_angle_beta   132.08
_cell_angle_gamma   70.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTc2Os
_chemical_formula_sum   'Si1 Tc2 Os1'
_cell_volume   56.22
_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  Si1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.91  0.0  0.93  1.0
  Tc  Tc3  1  0.0  0.0  0.85  1.0
  Os  Os0  1  0.0  0.91  0.93  1.0

data_SiTc2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   4.7
_cell_angle_alpha   113.96
_cell_angle_beta   113.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTc2Os
_chemical_formula_sum   'Si1 Tc2 Os1'
_cell_volume   56.22
_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  0.85  0.85  0.85  1.0
  Tc  Tc2  1  0.93  0.02  0.02  1.0
  Os  Os3  1  0.02  0.93  0.02  1.0

Si Tc Tc Os