data_[Tl2Zn2In4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0582]
_cell_length_b [8.8633]
_cell_length_c [11.1664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.5958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlZn(InHg3)2]
_chemical_formula_sum '[Tl2 Zn2 In4 Hg12]'
_cell_volume [553.4913]
_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  0.5000  0.0000  0.0000  1.0
  Zn  Zn1  2  0.0000  0.0000  0.5000  1.0
  In  In2  4  0.0972  0.6291  0.7598  1.0
  Hg  Hg3  4  0.0271  0.1657  0.0727  1.0
  Hg  Hg4  4  0.3456  0.1482  0.4847  1.0
  Hg  Hg5  4  0.4331  0.6530  0.2030  1.0
]