data_[Tl4Cd2Hg2Se2]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.5117]
_cell_length_b [4.5117]
_cell_length_c [14.3295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Tl2CdHgSe]
_chemical_formula_sum '[Tl4 Cd2 Hg2 Se2]'
_cell_volume [291.6897]
_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  0.5000  0.1056  1
  Tl  Tl1  2  0.0000  0.5000  0.6980  1
  Cd  Cd2  2  0.0000  0.0000  0.5000  1
  Hg  Hg3  2  0.0000  0.5000  0.3391  1
  Se  Se4  2  0.0000  0.5000  0.8952  1
]