data_[La10Hg2Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.6913]
_cell_length_b [9.6913]
_cell_length_c [9.7968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [La5HgTe8]
_chemical_formula_sum '[La10 Hg2 Te16]'
_cell_volume [920.1197]
_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
[
  La  La0  8  0.1289  0.2512  0.1160  1.0
  La  La1  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  2  0.0000  0.5000  0.7500  1.0
  Te  Te3  8  0.0689  0.1717  0.7945  1.0
  Te  Te4  8  0.0809  0.3198  0.4363  1.0
]