data_FeTc2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTc2Ge
_chemical_formula_sum   'Fe1 Tc2 Ge1'
_cell_volume   54.82
_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  0.0  1.0
  Tc  Tc2  1  0.25  0.04  0.4  1.0
  Tc  Tc3  1  0.25  0.96  0.4  1.0
  Ge  Ge1  1  0.5  0.0  0.0  1.0

data_FeTc2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   114.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTc2Ge
_chemical_formula_sum   'Fe1 Tc2 Ge1'
_cell_volume   54.82
_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  0.0  1.0
  Tc  Tc1  1  0.4  0.25  0.04  1.0
  Tc  Tc2  1  0.4  0.25  0.96  1.0
  Ge  Ge3  1  0.0  0.5  0.0  1.0

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