data_[Mn2Al2Hg2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [P2_1/m]
_cell_length_a [9.6406]
_cell_length_b [3.9943]
_cell_length_c [11.2207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnAlHgTe3]
_chemical_formula_sum '[Mn2 Al2 Hg2 Te6]'
_cell_volume [406.2821]
_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
[
  Mn  Mn0  2  0.3551  0.7500  0.8987  1.0
  Al  Al1  2  0.0923  0.2500  0.6234  1.0
  Hg  Hg2  2  0.2063  0.2500  0.2217  1.0
  Te  Te3  2  0.1462  0.2500  0.8672  1.0
  Te  Te4  2  0.1980  0.7500  0.5205  1.0
  Te  Te5  2  0.4850  0.7500  0.1590  1.0
]