data_TaTlCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43
_cell_length_b   7.43
_cell_length_c   7.43
_cell_angle_alpha   155.94
_cell_angle_beta   143.28
_cell_angle_gamma   44.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTlCl2
_chemical_formula_sum   'Ta1 Tl1 Cl2'
_cell_volume   99.58
_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  0.0  0.0  0.61  1.0
  Tl  Tl3  1  0.0  0.34  0.42  1.0
  Cl  Cl0  1  0.0  0.0  0.05  1.0
  Cl  Cl1  1  0.55  0.0  0.67  1.0

data_TaTlCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.68
_cell_length_c   7.43
_cell_angle_alpha   108.36
_cell_angle_beta   102.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTlCl2
_chemical_formula_sum   'Ta1 Tl1 Cl2'
_cell_volume   99.58
_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  Ta0  1  0.39  0.39  0.39  1.0
  Tl  Tl1  1  0.58  0.92  0.92  1.0
  Cl  Cl2  1  0.88  0.33  0.88  1.0
  Cl  Cl3  1  0.95  0.95  0.95  1.0

Ta Tl Cl Cl