data_SiTcTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01
_cell_length_b   9.01
_cell_length_c   9.01
_cell_angle_alpha   21.52
_cell_angle_beta   21.52
_cell_angle_gamma   21.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTcTe2
_chemical_formula_sum   'Si1 Tc1 Te2'
_cell_volume   86.23
_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  0.2  1.0
  Te  Te2  1  0.0  0.0  0.07  1.0
  Te  Te3  1  0.0  0.0  0.32  1.0

data_SiTcTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.83
_cell_length_b   3.36
_cell_length_c   9.01
_cell_angle_alpha   90.0
_cell_angle_beta   102.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiTcTe2
_chemical_formula_sum   'Si2 Tc2 Te4'
_cell_volume   172.45
_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
  Si  Si0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.8  1.0
  Te  Te2  2  0.0  0.0  0.68  1.0
  Te  Te3  2  0.0  0.0  0.93  1.0

Si Tc Te Te
Si Tc Te Te 0 2 o o o 1 2 o o o 1 3 o o o 