data_[Tl4In4Sn2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.8820]
_cell_length_b [10.8493]
_cell_length_c [6.6891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Tl2In2SnHg]
_chemical_formula_sum '[Tl4 In4 Sn2 Hg2]'
_cell_volume [354.2935]
_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  0.0000  0.1647  0.3445  1.0
  Tl  Tl1  2  0.5000  0.0272  0.0402  1.0
  In  In2  2  0.0000  0.2080  0.8497  1.0
  In  In3  2  0.5000  0.3540  0.1363  1.0
  Sn  Sn4  2  0.5000  0.3106  0.6139  1.0
  Hg  Hg5  2  0.0000  0.4918  0.5609  1.0
]