data_Tm3(CuSn)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34
_cell_length_b   8.34
_cell_length_c   8.34
_cell_angle_alpha   149.05
_cell_angle_beta   130.92
_cell_angle_gamma   59.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3(CuSn)4
_chemical_formula_sum   'Tm3 Cu4 Sn4'
_cell_volume   223.57
_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
  Tm  Tm0  1  0.0  0.0  0.0  1.0
  Tm  Tm1  1  0.23  0.0  0.38  1.0
  Tm  Tm2  1  0.0  0.46  0.87  1.0
  Cu  Cu3  1  0.23  0.3  0.48  1.0
  Cu  Cu4  1  0.0  0.16  0.74  1.0
  Cu  Cu5  1  0.0  0.16  0.77  1.0
  Cu  Cu6  1  0.23  0.3  0.52  1.0
  Sn  Sn7  1  0.0  0.0  0.14  1.0
  Sn  Sn8  1  0.0  0.0  0.36  1.0
  Sn  Sn9  1  0.23  0.05  0.0  1.0
  Sn  Sn10  1  0.0  0.42  0.25  1.0

data_Tm3(CuSn)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   6.93
_cell_length_c   8.34
_cell_angle_alpha   114.54
_cell_angle_beta   105.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3(CuSn)4
_chemical_formula_sum   'Tm3 Cu4 Sn4'
_cell_volume   223.57
_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
  Tm  Tm0  1  0.0  0.0  0.0  1.0
  Tm  Tm1  1  0.13  0.59  0.59  1.0
  Tm  Tm2  1  0.85  0.62  0.85  1.0
  Cu  Cu3  1  0.23  0.4  0.4  1.0
  Cu  Cu4  1  0.26  0.43  0.43  1.0
  Cu  Cu5  1  0.71  0.78  0.01  1.0
  Cu  Cu6  1  0.74  0.82  0.04  1.0
  Sn  Sn7  1  0.23  0.05  0.27  1.0
  Sn  Sn8  1  0.64  0.64  0.64  1.0
  Sn  Sn9  1  0.75  0.17  0.17  1.0
  Sn  Sn10  1  0.86  0.86  0.86  1.0

Tm Tm Tm Cu Cu Cu Cu Sn Sn Sn Sn
Tm Tm Tm Cu Cu Cu Cu Sn Sn Sn Sn 0 7 o o o 0 9 o o o 0 10 o o o 1 7 o o o 1 6 o o o 1 3 o o o 1 8 o o o 2 5 o o o 2 4 o o o 2 8 o o o 3 6 o o o 3 9 o o o 3 10 o o o 4 5 o o o 4 8 o o o 4 9 o o + 5 9 o o + 5 10 o o + 6 10 o o o 7 8 o o o 9 10 o o o 