data_TmNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.06
_cell_length_b   4.41
_cell_length_c   14.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmNiSn2
_chemical_formula_sum   'Tm12 Ni12 Sn24'
_cell_volume   1028.55
_cell_formula_units_Z   12
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  0.59  0.1  0.15  1.0
  Tm  Tm1  1  0.62  0.1  0.65  1.0
  Tm  Tm2  1  0.47  0.3  0.38  1.0
  Tm  Tm3  1  0.44  0.3  0.88  1.0
  Tm  Tm4  1  0.03  0.1  1.0  1.0
  Tm  Tm5  1  0.01  0.1  0.27  1.0
  Tm  Tm6  1  0.02  0.3  0.54  1.0
  Tm  Tm7  1  0.05  0.3  0.26  1.0
  Tm  Tm8  1  0.38  0.1  0.79  1.0
  Tm  Tm9  1  0.35  0.1  0.48  1.0
  Tm  Tm10  1  0.68  0.3  0.75  1.0
  Tm  Tm11  1  0.71  0.3  0.06  1.0
  Ni  Ni12  1  0.86  0.1  0.83  1.0
  Ni  Ni13  1  0.89  0.1  0.97  1.0
  Ni  Ni14  1  0.2  0.3  0.7  1.0
  Ni  Ni15  1  0.17  0.3  0.56  1.0
  Ni  Ni16  1  0.94  0.1  0.82  1.0
  Ni  Ni17  1  0.97  0.1  0.98  1.0
  Ni  Ni18  1  0.12  0.3  0.71  1.0
  Ni  Ni19  1  0.09  0.3  0.56  1.0
  Ni  Ni20  1  0.84  0.1  0.66  1.0
  Ni  Ni21  1  0.81  0.1  0.6  1.0
  Ni  Ni22  1  0.22  0.3  0.87  1.0
  Ni  Ni23  1  0.24  0.3  0.93  1.0
  Sn  Sn24  1  0.97  0.1  0.58  1.0
  Sn  Sn25  1  0.94  0.1  0.69  1.0
  Sn  Sn26  1  0.09  0.3  0.96  1.0
  Sn  Sn27  1  0.11  0.3  0.85  1.0
  Sn  Sn28  1  0.37  0.1  0.77  1.0
  Sn  Sn29  1  0.35  0.1  0.5  1.0
  Sn  Sn30  1  0.68  0.3  0.77  1.0
  Sn  Sn31  1  0.71  0.3  0.04  1.0
  Sn  Sn32  1  0.35  0.1  0.13  1.0
  Sn  Sn33  1  0.33  0.1  0.14  1.0
  Sn  Sn34  1  0.7  0.3  0.41  1.0
  Sn  Sn35  1  0.73  0.3  0.39  1.0
  Sn  Sn36  1  0.45  0.1  0.79  1.0
  Sn  Sn37  1  0.48  0.1  0.01  1.0
  Sn  Sn38  1  0.61  0.3  0.75  1.0
  Sn  Sn39  1  0.58  0.3  0.52  1.0
  Sn  Sn40  1  0.54  0.1  0.68  1.0
  Sn  Sn41  1  0.56  0.1  0.13  1.0
  Sn  Sn42  1  0.52  0.3  0.86  1.0
  Sn  Sn43  1  0.49  0.3  0.41  1.0
  Sn  Sn44  1  0.81  0.1  0.61  1.0
  Sn  Sn45  1  0.84  0.1  0.19  1.0
  Sn  Sn46  1  0.24  0.3  0.92  1.0
  Sn  Sn47  1  0.21  0.3  0.35  1.0

data_TmNiSn2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.41
_cell_length_b   14.54
_cell_length_c   16.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TmNiSn2
_chemical_formula_sum   'Tm12 Ni12 Sn24'
_cell_volume   1028.55
_cell_formula_units_Z   12
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  0.1  0.12  0.44  1.0
  Tm  Tm1  2  0.1  0.27  0.99  1.0
  Tm  Tm2  2  0.1  0.48  0.65  1.0
  Tm  Tm3  2  0.1  0.62  0.41  1.0
  Tm  Tm4  2  0.1  0.79  0.68  1.0
  Tm  Tm5  2  0.1  1.0  0.02  1.0
  Ni  Ni6  2  0.1  0.29  0.06  1.0
  Ni  Ni7  2  0.1  0.3  0.14  1.0
  Ni  Ni8  2  0.1  0.44  0.17  1.0
  Ni  Ni9  2  0.1  0.44  0.09  1.0
  Ni  Ni10  2  0.1  0.6  0.19  1.0
  Ni  Ni11  2  0.1  0.66  0.22  1.0
  Sn  Sn12  2  0.1  0.08  0.19  1.0
  Sn  Sn13  2  0.1  0.13  0.7  1.0
  Sn  Sn14  2  0.1  0.14  0.46  1.0
  Sn  Sn15  2  0.1  0.14  0.67  1.0
  Sn  Sn16  2  0.1  0.25  0.55  1.0
  Sn  Sn17  2  0.1  0.48  0.58  1.0
  Sn  Sn18  2  0.1  0.5  0.65  1.0
  Sn  Sn19  2  0.1  0.58  0.09  1.0
  Sn  Sn20  2  0.1  0.59  0.49  1.0
  Sn  Sn21  2  0.1  0.65  0.21  1.0
  Sn  Sn22  2  0.1  0.69  0.06  1.0
  Sn  Sn23  2  0.1  0.77  0.68  1.0

Tm Tm Tm Tm Tm Tm Tm Tm Tm Tm Tm Tm Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn