data_SiTcSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   6.74
_cell_angle_alpha   151.5
_cell_angle_beta   147.12
_cell_angle_gamma   44.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTcSe2
_chemical_formula_sum   'Si1 Tc1 Se2'
_cell_volume   79.1
_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  0.0  0.0  0.25  1.0
  Se  Se0  1  0.0  0.91  0.42  1.0
  Se  Se1  1  0.66  0.0  0.83  1.0

data_SiTcSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.81
_cell_length_c   6.74
_cell_angle_alpha   106.44
_cell_angle_beta   104.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTcSe2
_chemical_formula_sum   'Si1 Tc1 Se2'
_cell_volume   79.1
_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  0.25  0.25  1.0
  Se  Se2  1  0.0  0.83  0.17  1.0
  Se  Se3  1  0.09  0.51  0.51  1.0

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