data_[Tl2P2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1876]
_cell_length_b [6.1643]
_cell_length_c [11.5538]
_cell_angle_alpha [86.6995]
_cell_angle_beta [84.3795]
_cell_angle_gamma [89.2252]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlPCl3]
_chemical_formula_sum '[Tl2 P2 Cl6]'
_cell_volume [367.0689]
_cell_formula_units_Z [2]
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  2  0.2272  0.7400  0.6006  1
  P  P1  2  0.2822  0.0189  0.9971  1
  Cl  Cl2  2  0.2425  0.2477  0.5380  1
  Cl  Cl3  2  0.2538  0.2840  0.1000  1
  Cl  Cl4  2  0.3016  0.1660  0.8310  1
]