data_TaAlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73
_cell_length_b   8.44
_cell_length_c   3.07
_cell_angle_alpha   85.26
_cell_angle_beta   74.25
_cell_angle_gamma   20.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlCl
_chemical_formula_sum   'Ta1 Al1 Cl1'
_cell_volume   65.52
_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
  Ta  Ta2  1  0.46  0.7  0.41  1.0
  Al  Al0  1  0.46  0.7  0.09  1.0
  Cl  Cl1  1  0.46  0.7  0.73  1.0

data_TaAlCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.92
_cell_length_b   16.62
_cell_length_c   3.07
_cell_angle_alpha   90.0
_cell_angle_beta   118.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaAlCl
_chemical_formula_sum   'Ta2 Al2 Cl2'
_cell_volume   131.04
_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
  Ta  Ta0  2  0.46  0.0  0.87  1.0
  Al  Al1  2  0.46  0.0  0.55  1.0
  Cl  Cl2  2  0.46  0.0  0.19  1.0

Ta Al Cl
Ta Al Cl 0 1 o o o 0 2 o o o 1 2 o o - 