data_[Na2Sm2Hg2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  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 [8.7313]
_cell_length_b [4.4662]
_cell_length_c [10.6748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaSmHgTe3]
_chemical_formula_sum '[Na2 Sm2 Hg2 Te6]'
_cell_volume [403.9165]
_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  0.2221  0.2500  0.2544  1
  Sm  Sm1  2  0.3202  0.7500  0.8535  1
  Hg  Hg2  2  0.0930  0.2500  0.6089  1
  Te  Te3  2  0.0636  0.2500  0.8648  1
  Te  Te4  2  0.2633  0.7500  0.5359  1
  Te  Te5  2  0.4327  0.7500  0.1554  1
]