data_Si2TcAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.82
_cell_angle_alpha   95.1
_cell_angle_beta   95.1
_cell_angle_gamma   41.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2TcAs
_chemical_formula_sum   'Si2 Tc1 As1'
_cell_volume   62.23
_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  Si1  1  0.26  0.0  0.46  1.0
  Si  Si2  1  0.55  0.0  0.34  1.0
  Tc  Tc3  1  0.9  0.0  0.4  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Si2TcAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.42
_cell_length_c   4.82
_cell_angle_alpha   95.1
_cell_angle_beta   90.0
_cell_angle_gamma   110.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2TcAs
_chemical_formula_sum   'Si2 Tc1 As1'
_cell_volume   62.23
_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
  Tc  Tc0  1  0.0  0.1  0.6  1.0
  Si  Si1  1  0.0  0.45  0.66  1.0
  Si  Si2  1  0.0  0.74  0.54  1.0
  As  As3  1  0.0  0.0  0.0  1.0

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