data_[Na2Mg2Hg2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pccm]
_cell_length_a [5.7674]
_cell_length_b [7.5067]
_cell_length_c [7.3455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [49]
_chemical_formula_structural [NaMgHgTe2]
_chemical_formula_sum '[Na2 Mg2 Hg2 Te4]'
_cell_volume [318.0170]
_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  0.5000  0.0000  0.2500  1
  Mg  Mg1  2  0.0000  0.5000  0.2500  1
  Hg  Hg2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.3121  0.3298  0.0000  1
]