data_TmAlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmAlZn
_chemical_formula_sum   'Tm2 Al2 Zn2'
_cell_volume   119.98
_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  0.0  0.0  0.0  1.0
  Tm  Tm1  1  0.0  0.0  0.44  1.0
  Al  Al2  1  0.24  0.3  0.16  1.0
  Al  Al3  1  0.0  0.59  0.72  1.0
  Zn  Zn4  1  0.24  0.3  0.72  1.0
  Zn  Zn5  1  0.0  0.59  0.16  1.0

data_TmAlZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmAlZn
_chemical_formula_sum   'Tm2 Al2 Zn2'
_cell_volume   119.98
_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  0.0  0.0  0.0  1.0
  Tm  Tm1  1  0.0  0.0  0.44  1.0
  Al  Al2  1  0.0  0.59  0.72  1.0
  Al  Al3  1  0.24  0.3  0.16  1.0
  Zn  Zn4  1  0.0  0.59  0.16  1.0
  Zn  Zn5  1  0.24  0.3  0.72  1.0

Tm Tm Al Al Zn Zn
Tm Tm Al Al Zn Zn 0 2 o o o 0 4 o o - 0 5 o - o 1 5 o - o 1 3 o - o 1 2 o o o 1 4 o o o 2 5 o o o 3 4 o o o 