data_[Li4Tl4P4H4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [15.0571]
_cell_length_b [5.1517]
_cell_length_c [5.4414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiTlPHO3]
_chemical_formula_sum '[Li4 Tl4 P4 H4 O12]'
_cell_volume [421.9588]
_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
[
  Li  Li0  4  0.2476  0.9492  0.8164  1.0
  Tl  Tl1  4  0.0975  0.9809  0.2511  1.0
  P  P2  4  0.1480  0.4417  0.6817  1.0
  H  H3  4  0.0670  0.5530  0.7598  1.0
  O  O4  4  0.1402  0.1471  0.7252  1.0
  O  O5  4  0.1547  0.5085  0.4072  1.0
  O  O6  4  0.2216  0.5696  0.8440  1.0
]