data_[Nb2Hg2Te4]
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 [P2/c]
_cell_length_a [10.6930]
_cell_length_b [3.6303]
_cell_length_c [6.3546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [NbHgTe2]
_chemical_formula_sum '[Nb2 Hg2 Te4]'
_cell_volume [242.4057]
_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
[
  Nb  Nb0  2  0.5000  0.2468  0.7500  1.0
  Hg  Hg1  2  0.0000  0.0000  0.0000  1.0
  Te  Te2  4  0.3223  0.2518  0.3607  1.0
]