data_[Zr2V4Hg2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [7.1136]
_cell_length_b [7.1136]
_cell_length_c [6.2969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [ZrV2HgO8]
_chemical_formula_sum '[Zr2 V4 Hg2 O16]'
_cell_volume [318.6441]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.0000  1.0
  V  V1  2  0.0000  0.0000  0.5000  1.0
  V  V2  2  0.0000  0.5000  0.7500  1.0
  Hg  Hg3  2  0.0000  0.5000  0.2500  1.0
  O  O4  8  0.0000  0.1786  0.3099  1.0
  O  O5  8  0.0000  0.2969  0.9068  1.0
]