data_TaTlCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTlCl2
_chemical_formula_sum   'Ta1 Tl1 Cl2'
_cell_volume   86.56
_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  0.0  1.0
  Tl  Tl3  1  0.14  0.0  0.0  1.0
  Cl  Cl0  1  0.57  0.8  0.57  1.0
  Cl  Cl1  1  0.57  0.2  0.57  1.0

data_TaTlCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   108.95
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTlCl2
_chemical_formula_sum   'Ta1 Tl1 Cl2'
_cell_volume   86.56
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.14  0.0  1.0
  Cl  Cl2  1  0.57  0.57  0.8  1.0
  Cl  Cl3  1  0.57  0.57  0.2  1.0

Ta Tl Cl Cl