data_[Na2Tm2Hg2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tm  1.2500  1.7500  1.0950
  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 [8.7945]
_cell_length_b [4.4235]
_cell_length_c [10.6948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTmHgTe3]
_chemical_formula_sum '[Na2 Tm2 Hg2 Te6]'
_cell_volume [400.9069]
_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
[
  Na  Na0  2  0.2056  0.7500  0.2161  1
  Tm  Tm1  2  0.3255  0.2500  0.8528  1
  Hg  Hg2  2  0.0887  0.7500  0.6049  1
  Te  Te3  2  0.0817  0.7500  0.8665  1
  Te  Te4  2  0.2654  0.2500  0.5438  1
  Te  Te5  2  0.4369  0.2500  0.1491  1
]