data_[V2Hg2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.5434]
_cell_length_b [6.7369]
_cell_length_c [10.0477]
_cell_angle_alpha [75.3138]
_cell_angle_beta [87.9852]
_cell_angle_gamma [74.8500]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [VHgTe2]
_chemical_formula_sum '[V2 Hg2 Te4]'
_cell_volume [223.8290]
_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
[
  V  V0  1  0.1851  0.2770  0.9399  1.0
  V  V1  1  0.9876  0.6608  0.0090  1.0
  Hg  Hg2  1  0.0624  0.9639  0.4749  1.0
  Hg  Hg3  1  0.0811  0.4634  0.4729  1.0
  Te  Te4  1  0.3682  0.8759  0.1305  1.0
  Te  Te5  1  0.5462  0.5850  0.8067  1.0
  Te  Te6  1  0.6267  0.3523  0.1419  1.0
  Te  Te7  1  0.8044  0.0622  0.8186  1.0
]