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 [Pmm2]
_cell_length_a [3.7325]
_cell_length_b [7.8884]
_cell_length_c [21.8851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [NbHgTe2]
_chemical_formula_sum '[Nb2 Hg2 Te4]'
_cell_volume [644.3699]
_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  0.0000  0.2938  0.4517  1
  Hg  Hg1  1  0.0000  0.0000  0.5322  1
  Hg  Hg2  1  0.0000  0.5000  0.6982  1
  Te  Te3  2  0.5000  0.3013  0.5482  1
  Te  Te4  1  0.0000  0.0000  0.3836  1
  Te  Te5  1  0.5000  0.5000  0.3863  1
]