data_[Zr4Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [14.6001]
_cell_length_b [3.9073]
_cell_length_c [9.8365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrHgTe2]
_chemical_formula_sum '[Zr4 Hg4 Te8]'
_cell_volume [440.6769]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  4  0.0754  0.5000  0.9218  1.0
  Hg  Hg1  4  0.1053  0.5000  0.4687  1.0
  Te  Te2  4  0.1245  0.0000  0.1998  1.0
  Te  Te3  4  0.1579  0.0000  0.7963  1.0
]