data_[Li2V2Hg6S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1631]
_cell_length_b [7.6663]
_cell_length_c [10.3852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiVHg3S4]
_chemical_formula_sum '[Li2 V2 Hg6 S8]'
_cell_volume [537.3517]
_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
[
  Li  Li0  2  0.4277  0.2500  0.4482  1
  V  V1  2  0.4855  0.7500  0.2661  1
  Hg  Hg2  4  0.1893  0.0183  0.9715  1
  Hg  Hg3  2  0.0286  0.7500  0.2513  1
  S  S4  4  0.3431  0.5222  0.3168  1
  S  S5  2  0.2101  0.2500  0.6072  1
  S  S6  2  0.4636  0.7500  0.0500  1
]