data_[Ca4V4Hg4O16]
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/m]
_cell_length_a [11.8037]
_cell_length_b [6.3738]
_cell_length_c [7.0320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaVHgO4]
_chemical_formula_sum '[Ca4 V4 Hg4 O16]'
_cell_volume [519.3331]
_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  0.2042  0.5000  0.8572  1.0
  V  V1  4  0.1325  0.5000  0.2648  1.0
  Hg  Hg2  4  0.1078  0.0000  0.4881  1.0
  O  O3  8  0.1739  0.2872  0.1388  1.0
  O  O4  4  0.0111  0.5000  0.7373  1.0
  O  O5  4  0.2117  0.5000  0.5140  1.0
]