data_TmAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   4.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmAlCu
_chemical_formula_sum   'Tm3 Al3 Cu3'
_cell_volume   165.0
_cell_formula_units_Z   3
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  0.04  0.0  0.0  1.0
  Tm  Tm1  1  0.98  0.5  0.0  1.0
  Tm  Tm2  1  0.43  0.47  0.0  1.0
  Al  Al3  1  0.63  0.0  0.0  1.0
  Al  Al4  1  0.18  0.42  0.0  1.0
  Al  Al5  1  0.63  0.56  0.0  1.0
  Cu  Cu6  1  0.0  0.0  0.0  1.0
  Cu  Cu7  1  0.0  0.98  0.0  1.0
  Cu  Cu8  1  0.45  0.99  0.0  1.0

data_TmAlCu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.9
_cell_length_b   4.0
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TmAlCu
_chemical_formula_sum   'Tm3 Al3 Cu3'
_cell_volume   165.0
_cell_formula_units_Z   3
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  1  0.04  0.0  0.0  1.0
  Tm  Tm1  1  0.43  0.0  0.47  1.0
  Tm  Tm2  1  0.98  0.0  0.5  1.0
  Al  Al3  1  0.18  0.0  0.42  1.0
  Al  Al4  1  0.63  0.0  0.56  1.0
  Al  Al5  1  0.63  0.0  0.0  1.0
  Cu  Cu6  1  0.0  0.0  0.0  1.0
  Cu  Cu7  1  0.0  0.0  0.98  1.0
  Cu  Cu8  1  0.45  0.0  0.99  1.0

Tm Tm Tm Al Al Al Cu Cu Cu