data_FeSi2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   136.59
_cell_angle_beta   136.59
_cell_angle_gamma   63.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2Tc
_chemical_formula_sum   'Fe1 Si2 Tc1'
_cell_volume   49.57
_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
  Fe  Fe0  1  0.0  0.0  0.04  1.0
  Si  Si1  1  0.0  0.75  0.02  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.75  0.0  0.02  1.0

data_FeSi2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   4.74
_cell_angle_alpha   111.7
_cell_angle_beta   111.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2Tc
_chemical_formula_sum   'Fe1 Si2 Tc1'
_cell_volume   49.57
_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
  Fe  Fe0  1  0.04  0.04  0.04  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.02  0.27  0.27  1.0
  Si  Si3  1  0.27  0.02  0.27  1.0

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