data_[La8Tb4Hg4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4487]
_cell_length_b [19.1576]
_cell_length_c [13.6656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2TbHgTe5]
_chemical_formula_sum '[La8 Tb4 Hg4 Te20]'
_cell_volume [1164.6788]
_cell_formula_units_Z [4]
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  4  0.0000  0.1203  0.6836  1.0
  La  La1  4  0.0000  0.1260  0.3049  1.0
  Tb  Tb2  4  0.0000  0.1914  0.0032  1.0
  Hg  Hg3  4  0.0000  0.4368  0.4654  1.0
  Te  Te4  4  0.0000  0.0396  0.0920  1.0
  Te  Te5  4  0.0000  0.2925  0.6624  1.0
  Te  Te6  4  0.0000  0.2995  0.3373  1.0
  Te  Te7  4  0.0000  0.3547  0.9980  1.0
  Te  Te8  4  0.0000  0.4973  0.2772  1.0
]