data_FeTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   2.62
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTc
_chemical_formula_sum   'Fe2 Tc2'
_cell_volume   49.84
_cell_formula_units_Z   2
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  0.82  0.06  0.44  1.0
  Fe  Fe1  1  0.82  0.94  0.83  1.0
  Tc  Tc2  1  0.82  0.06  0.55  1.0
  Tc  Tc3  1  0.82  0.94  0.72  1.0

data_FeTc
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   2.62
_cell_length_b   2.62
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   FeTc
_chemical_formula_sum   'Fe2 Tc2'
_cell_volume   49.87
_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, y, -z'
  4  '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  2  0.06  0.0  0.31  1.0
  Tc  Tc1  2  0.06  0.0  0.42  1.0

Fe Fe Tc Tc
Fe Fe Tc Tc 0 2 o o o 1 3 o o o 