data_[Mn2Nb4Hg4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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/m]
_cell_length_a [6.3815]
_cell_length_b [11.0667]
_cell_length_c [10.3289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnNb2(HgTe3)2]
_chemical_formula_sum '[Mn2 Nb4 Hg4 Te12]'
_cell_volume [703.1401]
_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
[
  Mn  Mn0  2  0.0000  0.0000  0.5000  1.0
  Nb  Nb1  4  0.0000  0.3304  0.5000  1.0
  Hg  Hg2  4  0.0000  0.1892  0.0000  1.0
  Te  Te3  8  0.2376  0.1587  0.6793  1.0
  Te  Te4  4  0.2451  0.0000  0.3236  1.0
]