data_ReTcMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.4
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   100.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTcMo2
_chemical_formula_sum   'Re1 Tc1 Mo2'
_cell_volume   61.32
_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  Re2  1  0.97  0.2  0.54  1.0
  Tc  Tc3  1  0.92  0.0  0.83  1.0
  Mo  Mo0  1  0.74  0.2  0.08  1.0
  Mo  Mo1  1  0.84  0.0  0.29  1.0

data_ReTcMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.4
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   100.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTcMo2
_chemical_formula_sum   'Re1 Tc1 Mo2'
_cell_volume   61.32
_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
  Tc  Tc0  1  0.92  0.0  0.83  1.0
  Re  Re1  1  0.97  0.2  0.54  1.0
  Mo  Mo2  1  0.74  0.2  0.08  1.0
  Mo  Mo3  1  0.84  0.0  0.29  1.0

Re Tc Mo Mo
Re Tc Mo Mo 0 3 o o o 0 1 o o o 1 2 o o + 2 3 o o o 