data_[Na2Zr1Hg1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8975]
_cell_length_b [4.2568]
_cell_length_c [7.9075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2ZrHgTe4]
_chemical_formula_sum '[Na2 Zr1 Hg1 Te4]'
_cell_volume [248.6224]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Na  Na1  1  0.5000  0.5000  0.0000  1.0
  Zr  Zr2  1  0.5000  0.0000  0.5000  1.0
  Hg  Hg3  1  0.0000  0.5000  0.5000  1.0
  Te  Te4  2  0.2491  0.0000  0.7059  1.0
  Te  Te5  2  0.2841  0.5000  0.2644  1.0
]