data_Si2TcAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   7.7
_cell_angle_alpha   23.16
_cell_angle_beta   23.16
_cell_angle_gamma   23.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2TcAs
_chemical_formula_sum   'Si2 Tc1 As1'
_cell_volume   62.01
_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  0.08  1.0
  Si  Si2  1  0.0  0.0  0.92  1.0
  Tc  Tc3  1  0.0  0.0  0.2  1.0
  As  As0  1  0.0  0.0  0.51  1.0

data_Si2TcAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   3.09
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   103.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si2TcAs
_chemical_formula_sum   'Si4 Tc2 As2'
_cell_volume   124.03
_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  0.08  1.0
  Tc  Tc1  2  0.0  0.0  0.8  1.0
  Si  Si2  2  0.0  0.0  0.92  1.0
  As  As3  2  0.0  0.0  0.49  1.0

Si Si Tc As
Si Si Tc As 0 2 o o o 0 1 o o - 0 3 o o o 1 3 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 