data_[Tm2Tl2Hg2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3237]
_cell_length_b [4.4694]
_cell_length_c [10.5105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmTlHgTe3]
_chemical_formula_sum '[Tm2 Tl2 Hg2 Te6]'
_cell_volume [419.5183]
_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
[
  Tm  Tm0  2  0.3255  0.7500  0.8583  1.0
  Tl  Tl1  2  0.2123  0.2500  0.2340  1.0
  Hg  Hg2  2  0.0876  0.2500  0.6089  1.0
  Te  Te3  2  0.1025  0.2500  0.8808  1.0
  Te  Te4  2  0.2473  0.7500  0.5400  1.0
  Te  Te5  2  0.4553  0.7500  0.1578  1.0
]