data_ReTc2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   131.79
_cell_angle_beta   131.79
_cell_angle_gamma   70.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTc2Mo
_chemical_formula_sum   'Re1 Tc2 Mo1'
_cell_volume   60.25
_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  0.92  1.0
  Tc  Tc2  1  0.0  0.96  0.96  1.0
  Tc  Tc3  1  0.96  0.0  0.96  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_ReTc2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   125.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReTc2Mo
_chemical_formula_sum   'Re2 Tc4 Mo2'
_cell_volume   120.5
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.02  0.02  0.0  1.0
  Re  Re1  2  0.08  0.0  0.08  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0

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