data_[Al2Cu2Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [Pmn2_1]
_cell_length_a [8.9033]
_cell_length_b [7.7663]
_cell_length_c [7.3727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [AlCu(HgTe2)2]
_chemical_formula_sum '[Al2 Cu2 Hg4 Te8]'
_cell_volume [509.7877]
_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
[
  Al  Al0  2  0.0000  0.8338  0.4982  1.0
  Cu  Cu1  2  0.0000  0.1560  0.9975  1.0
  Hg  Hg2  4  0.2475  0.3293  0.5048  1.0
  Te  Te3  4  0.2449  0.3167  0.8934  1.0
  Te  Te4  2  0.0000  0.1441  0.3503  1.0
  Te  Te5  2  0.0000  0.8523  0.8575  1.0
]