data_[Na10Hg4Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [10.2632]
_cell_length_b [10.2632]
_cell_length_c [7.7289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Na5Hg2Te5]
_chemical_formula_sum '[Na10 Hg4 Te10]'
_cell_volume [814.1068]
_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  8  0.2015  0.2015  0.3360  1
  Na  Na1  2  0.0000  0.0000  0.8546  1
  Hg  Hg2  4  0.0000  0.5000  0.2555  1
  Te  Te3  8  0.0000  0.2928  0.0053  1
  Te  Te4  2  0.0000  0.0000  0.4621  1
]