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 [Cm]
_cell_length_a [6.2454]
_cell_length_b [3.6077]
_cell_length_c [10.4790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0458]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [VHgTe2]
_chemical_formula_sum '[V2 Hg2 Te4]'
_cell_volume [231.7338]
_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  2  0.0899  0.5000  0.9484  1.0
  Hg  Hg1  2  0.4091  0.0000  0.4454  1.0
  Te  Te2  2  0.3687  0.5000  0.7780  1.0
  Te  Te3  2  0.4776  0.5000  0.1182  1.0
]