data_[Gd4Tl4Hg4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6818]
_cell_length_b [4.4198]
_cell_length_c [9.5303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5685]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GdTlHgTe3]
_chemical_formula_sum '[Gd4 Tl4 Hg4 Te12]'
_cell_volume [809.1659]
_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
[
  Gd  Gd0  4  0.1742  0.0000  0.0888  1
  Tl  Tl1  4  0.1323  0.0000  0.5787  1
  Hg  Hg2  4  0.0387  0.5000  0.2222  1
  Te  Te3  4  0.1671  0.5000  0.8621  1
  Te  Te4  4  0.1875  0.5000  0.3239  1
  Te  Te5  2  0.0000  0.0000  0.0000  1
  Te  Te6  2  0.0000  0.5000  0.5000  1
]