data_[Tl4Cd2Hg5]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1854]
_cell_length_b [3.5550]
_cell_length_c [10.8812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl4Cd2Hg5]
_chemical_formula_sum '[Tl4 Cd2 Hg5]'
_cell_volume [316.2925]
_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
[
  Tl  Tl0  2  0.1522  0.5000  0.8927  1.0
  Tl  Tl1  2  0.2911  0.5000  0.4442  1.0
  Cd  Cd2  2  0.0568  0.0000  0.6355  1.0
  Hg  Hg3  2  0.2060  0.0000  0.1673  1.0
  Hg  Hg4  2  0.4264  0.0000  0.7086  1.0
  Hg  Hg5  1  0.5000  0.0000  0.0000  1.0
]