data_[Nb4Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.8822]
_cell_length_b [16.3660]
_cell_length_c [5.7987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NbHgTe2]
_chemical_formula_sum '[Nb4 Hg4 Te8]'
_cell_volume [488.7422]
_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
[
  Nb  Nb0  4  0.0000  0.2501  0.2500  1
  Hg  Hg1  4  0.0000  0.1956  0.7500  1
  Te  Te2  8  0.1591  0.3835  0.5990  1
]