data_[Na2Er2Hg2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Er  1.2400  1.7500  1.0300
  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 [8.8091]
_cell_length_b [4.4354]
_cell_length_c [10.7249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaErHgTe3]
_chemical_formula_sum '[Na2 Er2 Hg2 Te6]'
_cell_volume [403.6494]
_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  0.2133  1
  Er  Er1  2  0.3247  0.2500  0.8528  1
  Hg  Hg2  2  0.0894  0.7500  0.6055  1
  Te  Te3  2  0.0801  0.7500  0.8660  1
  Te  Te4  2  0.2641  0.2500  0.5436  1
  Te  Te5  2  0.4372  0.2500  0.1494  1
]