data_[Al2Hg2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2733]
_cell_length_b [7.0413]
_cell_length_c [9.6280]
_cell_angle_alpha [78.3797]
_cell_angle_beta [84.9606]
_cell_angle_gamma [89.6430]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlHgTe2]
_chemical_formula_sum '[Al2 Hg2 Te4]'
_cell_volume [282.6455]
_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  1  0.3647  0.0510  0.3251  1
  Al  Al1  1  0.9001  0.2386  0.9170  1
  Hg  Hg2  1  0.3419  0.3775  0.4141  1
  Hg  Hg3  1  0.4169  0.7345  0.7824  1
  Te  Te4  1  0.1945  0.7313  0.5152  1
  Te  Te5  1  0.4310  0.1612  0.7696  1
  Te  Te6  1  0.8497  0.5814  0.9745  1
  Te  Te7  1  0.8934  0.9885  0.1688  1
]