data_Re2TcIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.78
_cell_angle_alpha   99.47
_cell_angle_beta   99.47
_cell_angle_gamma   33.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TcIr
_chemical_formula_sum   'Re2 Tc1 Ir1'
_cell_volume   59.0
_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
  Re  Re1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.67  0.0  0.53  1.0
  Tc  Tc3  1  0.16  0.0  0.37  1.0
  Ir  Ir0  1  0.64  0.0  0.17  1.0

data_Re2TcIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.77
_cell_length_c   4.78
_cell_angle_alpha   99.47
_cell_angle_beta   90.0
_cell_angle_gamma   106.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TcIr
_chemical_formula_sum   'Re2 Tc1 Ir1'
_cell_volume   59.0
_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
  Re  Re0  1  0.0  0.33  0.47  1.0
  Tc  Tc1  1  0.0  0.84  0.63  1.0
  Re  Re2  1  0.0  1.0  1.0  1.0
  Ir  Ir3  1  0.0  0.36  0.83  1.0

Re Re Tc Ir