data_Tm3FeSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   13.33
_cell_angle_alpha   109.5
_cell_angle_beta   109.5
_cell_angle_gamma   43.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3FeSi3
_chemical_formula_sum   'Tm6 Fe2 Si6'
_cell_volume   264.96
_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  0.91  0.0  0.58  1.0
  Tm  Tm1  1  0.64  0.0  0.86  1.0
  Tm  Tm2  1  0.95  0.0  0.72  1.0
  Tm  Tm3  1  0.6  0.0  0.72  1.0
  Tm  Tm4  1  0.81  0.0  0.44  1.0
  Tm  Tm5  1  0.74  0.0  0.01  1.0
  Fe  Fe6  1  0.57  0.0  0.17  1.0
  Fe  Fe7  1  0.99  0.0  0.28  1.0
  Si  Si8  1  0.68  0.0  0.68  1.0
  Si  Si9  1  0.87  0.0  0.76  1.0
  Si  Si10  1  0.73  0.0  0.5  1.0
  Si  Si11  1  0.83  0.0  0.94  1.0
  Si  Si12  1  0.15  0.0  0.43  1.0
  Si  Si13  1  0.4  0.0  0.01  1.0

data_Tm3FeSi3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.12
_cell_length_b   5.57
_cell_length_c   12.62
_cell_angle_alpha   84.92
_cell_angle_beta   80.61
_cell_angle_gamma   68.3
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Tm3FeSi3
_chemical_formula_sum   'Tm6 Fe2 Si6'
_cell_volume   264.96
_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  0.0  0.18  0.5  1.0
  Tm  Tm1  2  0.0  0.27  0.36  1.0
  Tm  Tm2  2  0.0  0.32  0.21  1.0
  Fe  Fe3  2  0.0  0.34  0.95  1.0
  Si  Si4  2  0.0  0.06  0.54  1.0
  Si  Si5  2  0.0  0.17  0.28  1.0
  Si  Si6  2  0.0  0.34  0.79  1.0

Tm Tm Tm Tm Tm Tm Fe Fe Si Si Si Si Si Si