data_[Mg2Hg8Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.7009]
_cell_length_b [4.7009]
_cell_length_c [32.9922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [MgHg4Te5]
_chemical_formula_sum '[Mg2 Hg8 Te10]'
_cell_volume [729.0710]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg1  4  0.0000  0.0000  0.0988  1.0
  Hg  Hg2  4  0.0000  0.0000  0.3002  1.0
  Te  Te3  4  0.0000  0.5000  0.0477  1.0
  Te  Te4  4  0.0000  0.5000  0.6493  1.0
  Te  Te5  2  0.0000  0.5000  0.2500  1.0
]