data_Tm3(CuSn)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35
_cell_length_b   8.35
_cell_length_c   6.91
_cell_angle_alpha   114.04
_cell_angle_beta   114.04
_cell_angle_gamma   30.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3(CuSn)4
_chemical_formula_sum   'Tm3 Cu4 Sn4'
_cell_volume   223.7
_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  0.95  0.0  0.27  1.0
  Tm  Tm2  1  0.23  0.0  1.0  1.0
  Cu  Cu3  1  0.84  0.0  0.13  1.0
  Cu  Cu4  1  0.34  0.0  0.14  1.0
  Cu  Cu5  1  0.85  0.0  0.32  1.0
  Cu  Cu6  1  0.33  0.0  0.94  1.0
  Sn  Sn7  1  0.3  0.0  0.98  1.0
  Sn  Sn8  1  0.88  0.0  0.29  1.0
  Sn  Sn9  1  0.91  0.0  0.37  1.0
  Sn  Sn10  1  0.26  0.0  0.89  1.0

data_Tm3(CuSn)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   6.91
_cell_length_c   8.35
_cell_angle_alpha   114.04
_cell_angle_beta   105.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3(CuSn)4
_chemical_formula_sum   'Tm3 Cu4 Sn4'
_cell_volume   223.7
_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  0.0  0.27  0.95  1.0
  Tm  Tm2  1  0.0  1.0  0.23  1.0
  Cu  Cu3  1  0.0  0.13  0.84  1.0
  Cu  Cu4  1  0.0  0.14  0.34  1.0
  Cu  Cu5  1  0.0  0.32  0.85  1.0
  Cu  Cu6  1  0.0  0.94  0.33  1.0
  Sn  Sn7  1  0.0  0.29  0.88  1.0
  Sn  Sn8  1  0.0  0.37  0.91  1.0
  Sn  Sn9  1  0.0  0.89  0.26  1.0
  Sn  Sn10  1  0.0  0.98  0.3  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 3 - o o 0 1 - o o 0 2 o o - 1 8 o o o 1 3 o o o 2 7 o o o 2 4 o o + 3 8 o o o 4 7 o o - 5 8 o o o 5 9 o o o 6 7 o o o 6 10 o o o 7 10 o o o 8 9 o o o 