data_[Cs2Tl1In1Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7528]
_cell_length_b [7.7876]
_cell_length_c [7.8518]
_cell_angle_alpha [67.5020]
_cell_angle_beta [65.1727]
_cell_angle_gamma [68.3673]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2TlInHg6]
_chemical_formula_sum '[Cs2 Tl1 In1 Hg6]'
_cell_volume [385.0722]
_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
[
  Cs  Cs0  2  0.3868  0.1985  0.2062  1.0
  Tl  Tl1  1  0.5000  0.5000  0.5000  1.0
  In  In2  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  2  0.1131  0.3890  0.8316  1.0
  Hg  Hg4  2  0.1545  0.8401  0.6600  1.0
  Hg  Hg5  2  0.1677  0.7107  0.3128  1.0
]