data_[Mn2V2Hg2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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]
_cell_length_a [5.1855]
_cell_length_b [8.6242]
_cell_length_c [4.8391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [MnVHgO6]
_chemical_formula_sum '[Mn2 V2 Hg2 O12]'
_cell_volume [215.0409]
_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
[
  Mn  Mn0  2  0.0000  0.3337  0.5000  1.0
  V  V1  2  0.0000  0.6584  0.5000  1.0
  Hg  Hg2  2  0.0000  0.9990  0.0000  1.0
  O  O3  4  0.0983  0.5026  0.2826  1.0
  O  O4  4  0.1690  0.8154  0.2879  1.0
  O  O5  4  0.1720  0.1860  0.2826  1.0
]