data_[Tl4Hg4P4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.5789]
_cell_length_b [8.9455]
_cell_length_c [7.6511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlHgPO5]
_chemical_formula_sum '[Tl4 Hg4 P4 O20]'
_cell_volume [471.0195]
_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  0.0000  0.0000  0.0000  1.0
  Hg  Hg1  4  0.0000  0.3373  0.2500  1.0
  P  P2  4  0.0000  0.3316  0.7500  1.0
  O  O3  8  0.0902  0.2346  0.6400  1.0
  O  O4  8  0.1577  0.4420  0.8924  1.0
  O  O5  4  0.0000  0.1037  0.2500  1.0
]