data_[Ca4V8Hg4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [C2/c]
_cell_length_a [11.5543]
_cell_length_b [13.2926]
_cell_length_c [5.8368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaV2HgO6]
_chemical_formula_sum '[Ca4 V8 Hg4 O24]'
_cell_volume [856.4537]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  4  0.0000  0.2341  0.7500  1.0
  V  V1  8  0.2001  0.4237  0.1554  1.0
  Hg  Hg2  4  0.0000  0.0778  0.2500  1.0
  O  O3  8  0.0851  0.3426  0.0492  1.0
  O  O4  8  0.1670  0.1387  0.7902  1.0
  O  O5  8  0.1916  0.4802  0.4332  1.0
]