data_[Tl4P4Cl4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6754]
_cell_length_b [7.2908]
_cell_length_c [6.5795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlPClO4]
_chemical_formula_sum '[Tl4 P4 Cl4 O16]'
_cell_volume [458.0452]
_cell_formula_units_Z [4]
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  4  0.2435  0.0000  0.1447  1
  P  P1  4  0.1401  0.5000  0.2614  1
  Cl  Cl2  4  0.0122  0.0000  0.2540  1
  O  O3  8  0.1980  0.3344  0.1474  1
  O  O4  4  0.0207  0.5000  0.7723  1
  O  O5  4  0.1940  0.5000  0.4924  1
]