data_[Tl2Cd4In2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0498]
_cell_length_b [5.1491]
_cell_length_c [7.6213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlCd2InHg]
_chemical_formula_sum '[Tl2 Cd4 In2 Hg2]'
_cell_volume [276.5858]
_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  0.0079  0.2500  0.1569  1.0
  Cd  Cd1  2  0.2070  0.7500  0.4095  1.0
  Cd  Cd2  2  0.4824  0.2500  0.3030  1.0
  In  In3  2  0.2325  0.2500  0.6323  1.0
  Hg  Hg4  2  0.4136  0.7500  0.0770  1.0
]