data_TlPCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   3.3
_cell_angle_alpha   104.49
_cell_angle_beta   104.49
_cell_angle_gamma   97.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPCl2
_chemical_formula_sum   'Tl1 P1 Cl2'
_cell_volume   99.18
_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
  Tl  Tl3  1  0.76  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.88  0.16  0.0  1.0
  Cl  Cl1  1  0.88  0.84  0.0  1.0

data_TlPCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   97.99
_cell_angle_beta   104.49
_cell_angle_gamma   104.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPCl2
_chemical_formula_sum   'Tl1 P1 Cl2'
_cell_volume   99.18
_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
  Tl  Tl0  1  0.0  0.76  0.0  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.88  0.16  1.0
  Cl  Cl3  1  0.0  0.88  0.84  1.0

Tl P Cl Cl