data_Tm3Ge3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   13.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   136.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Ge3Ru2
_chemical_formula_sum   'Tm6 Ge6 Ru4'
_cell_volume   313.18
_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
  Tm  Tm0  1  0.12  0.48  0.24  1.0
  Tm  Tm1  1  0.12  0.52  0.57  1.0
  Tm  Tm2  1  0.12  0.48  0.47  1.0
  Tm  Tm3  1  0.12  0.52  0.33  1.0
  Tm  Tm4  1  0.12  0.43  0.35  1.0
  Tm  Tm5  1  0.12  0.57  0.45  1.0
  Ge  Ge6  1  0.12  0.78  0.25  1.0
  Ge  Ge7  1  0.12  0.22  0.56  1.0
  Ge  Ge8  1  0.12  0.78  0.46  1.0
  Ge  Ge9  1  0.12  0.22  0.34  1.0
  Ge  Ge10  1  0.12  0.72  0.35  1.0
  Ge  Ge11  1  0.12  0.28  0.45  1.0
  Ru  Ru12  1  0.12  0.93  0.75  1.0
  Ru  Ru13  1  0.12  0.07  0.05  1.0
  Ru  Ru14  1  0.12  0.93  0.15  1.0
  Ru  Ru15  1  0.12  0.07  0.66  1.0

data_Tm3Ge3Ru2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.24
_cell_length_b   5.75
_cell_length_c   13.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.62
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Tm3Ge3Ru2
_chemical_formula_sum   'Tm6 Ge6 Ru4'
_cell_volume   313.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Tm  Tm0  2  0.43  0.43  0.05  1.0
  Tm  Tm1  2  0.48  0.48  0.17  1.0
  Tm  Tm2  2  0.48  0.48  0.93  1.0
  Ge  Ge3  2  0.22  0.22  0.06  1.0
  Ge  Ge4  2  0.22  0.22  0.84  1.0
  Ge  Ge5  2  0.28  0.28  0.95  1.0
  Ru  Ru6  2  0.07  0.07  0.35  1.0
  Ru  Ru7  2  0.07  0.07  0.75  1.0

Tm Tm Tm Tm Tm Tm Ge Ge Ge Ge Ge Ge Ru Ru Ru Ru