data_[Hf2Cu2Hg2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
  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 [10.0209]
_cell_length_b [3.8989]
_cell_length_c [10.5437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfCuHgTe3]
_chemical_formula_sum '[Hf2 Cu2 Hg2 Te6]'
_cell_volume [365.2165]
_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
[
  Hf  Hf0  2  0.3156  0.7500  0.8322  1.0
  Cu  Cu1  2  0.0825  0.2500  0.5956  1.0
  Hg  Hg2  2  0.2168  0.2500  0.2301  1.0
  Te  Te3  2  0.1217  0.2500  0.8566  1.0
  Te  Te4  2  0.2143  0.7500  0.5309  1.0
  Te  Te5  2  0.4609  0.7500  0.1459  1.0
]