data_ZnSi2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96
_cell_length_b   7.96
_cell_length_c   7.96
_cell_angle_alpha   21.42
_cell_angle_beta   21.42
_cell_angle_gamma   21.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi2Tc
_chemical_formula_sum   'Zn1 Si2 Tc1'
_cell_volume   58.94
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Si  Si0  1  0.0  0.0  0.62  1.0
  Si  Si1  1  0.0  0.0  0.7  1.0
  Tc  Tc2  1  0.0  0.0  0.66  1.0

data_ZnSi2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.13
_cell_length_b   2.96
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   102.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnSi2Tc
_chemical_formula_sum   'Zn2 Si4 Tc2'
_cell_volume   117.89
_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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Si  Si1  2  0.0  0.0  0.3  1.0
  Tc  Tc2  2  0.0  0.0  0.34  1.0
  Si  Si3  2  0.0  0.0  0.38  1.0

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