data_[Tb14Hg4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Imm2]
_cell_length_a [4.3204]
_cell_length_b [15.4191]
_cell_length_c [9.7081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tb7(HgTe)2]
_chemical_formula_sum '[Tb14 Hg4 Te4]'
_cell_volume [646.7140]
_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
[
  Tb  Tb0  4  0.0000  0.1246  0.1096  1
  Tb  Tb1  4  0.0000  0.3161  0.8959  1
  Tb  Tb2  4  0.0000  0.3627  0.2660  1
  Tb  Tb3  2  0.0000  0.0000  0.5130  1
  Hg  Hg4  4  0.0000  0.2341  0.5939  1
  Te  Te5  2  0.0000  0.0000  0.8550  1
  Te  Te6  2  0.0000  0.5000  0.7550  1
]