data_Tm(Al2Cu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   6.73
_cell_angle_alpha   98.29
_cell_angle_beta   98.29
_cell_angle_gamma   135.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm(Al2Cu)4
_chemical_formula_sum   'Tm1 Al8 Cu4'
_cell_volume   197.87
_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
  Al  Al1  1  0.92  0.0  0.55  1.0
  Al  Al2  1  0.4  0.48  0.0  1.0
  Al  Al3  1  0.0  0.74  0.0  1.0
  Al  Al4  1  0.06  0.0  0.0  1.0
  Al  Al5  1  0.0  0.06  0.0  1.0
  Al  Al6  1  0.74  0.0  0.0  1.0
  Al  Al7  1  0.0  0.92  0.55  1.0
  Al  Al8  1  0.48  0.4  0.0  1.0
  Cu  Cu9  1  0.2  0.2  0.28  1.0
  Cu  Cu10  1  0.2  0.2  0.72  1.0
  Cu  Cu11  1  0.8  0.2  0.28  1.0
  Cu  Cu12  1  0.2  0.8  0.28  1.0

data_Tm(Al2Cu)4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   12.45
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   112.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tm(Al2Cu)4
_chemical_formula_sum   'Tm2 Al16 Cu8'
_cell_volume   395.73
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  1.0
  Al  Al1  4  0.04  0.04  0.45  1.0
  Al  Al2  4  0.06  0.46  -0.0  1.0
  Al  Al3  4  0.13  0.13  0.0  1.0
  Al  Al4  4  0.47  0.47  0.0  1.0
  Cu  Cu5  4  0.0  0.2  0.72  1.0
  Cu  Cu6  2  0.3  0.5  0.28  1.0
  Cu  Cu7  2  0.3  0.5  0.72  1.0

Tm Al Al Al Al Al Al Al Al Cu Cu Cu Cu
Tm Al Al Al Al Al Al Al Al Cu Cu Cu Cu 0 5 o o o 0 4 o o o 0 3 o - o 0 6 - o o 0 9 o o o 1 7 + - o 1 10 + o o 2 8 o o o 3 4 o + o 3 12 o o o 4 9 o o o 5 6 - o o 5 9 o o o 6 11 o o o 7 10 o + o 