data_Fe2TcIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.1
_cell_length_c   4.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TcIr
_chemical_formula_sum   'Fe2 Tc1 Ir1'
_cell_volume   51.72
_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  0.48  0.0  0.13  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.48  0.05  0.0  1.0
  Ir  Ir2  1  0.0  0.05  0.13  1.0

data_Fe2TcIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.1
_cell_length_c   4.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TcIr
_chemical_formula_sum   'Fe2 Tc1 Ir1'
_cell_volume   51.72
_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
  Fe  Fe1  1  0.48  0.0  0.13  1.0
  Tc  Tc2  1  0.48  0.05  -0.0  1.0
  Ir  Ir3  1  -0.0  0.05  0.13  1.0

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