data_[Tb2Hg2Te4]
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 [P-1]
_cell_length_a [4.4458]
_cell_length_b [7.9012]
_cell_length_c [8.7411]
_cell_angle_alpha [79.4642]
_cell_angle_beta [77.6122]
_cell_angle_gamma [87.8853]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbHgTe2]
_chemical_formula_sum '[Tb2 Hg2 Te4]'
_cell_volume [294.8465]
_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  2  0.2435  0.2545  0.4893  1.0
  Hg  Hg1  2  0.1234  0.6562  0.0045  1.0
  Te  Te2  2  0.1617  0.8892  0.7033  1.0
  Te  Te3  2  0.3538  0.6235  0.2985  1.0
]