data_[Ta4Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8130]
_cell_length_b [5.3587]
_cell_length_c [11.8068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TaHgTe2]
_chemical_formula_sum '[Ta4 Hg4 Te8]'
_cell_volume [412.6139]
_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
[
  Ta  Ta0  4  0.1746  0.6200  0.9771  1
  Hg  Hg1  4  0.1321  0.6374  0.2402  1
  Te  Te2  4  0.2054  0.1300  0.0721  1
  Te  Te3  4  0.4212  0.1420  0.3593  1
]