data_[Mg1V2Hg2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  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 [P1]
_cell_length_a [3.6184]
_cell_length_b [6.8450]
_cell_length_c [8.2262]
_cell_angle_alpha [91.1456]
_cell_angle_beta [90.5253]
_cell_angle_gamma [90.6372]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgV2(HgO3)2]
_chemical_formula_sum '[Mg1 V2 Hg2 O6]'
_cell_volume [203.6840]
_cell_formula_units_Z [1]
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
[
  Mg  Mg0  1  0.2636  0.4986  0.4397  1
  V  V1  1  0.2491  0.4094  0.8727  1
  V  V2  1  0.7592  0.6166  0.1377  1
  Hg  Hg3  1  0.2362  0.1017  0.3284  1
  Hg  Hg4  1  0.7148  0.9121  0.6485  1
  O  O5  1  0.2449  0.1738  0.8921  1
  O  O6  1  0.2471  0.4547  0.6690  1
  O  O7  1  0.2570  0.5360  0.1140  1
  O  O8  1  0.7523  0.4938  0.9200  1
  O  O9  1  0.7625  0.8532  0.1245  1
  O  O10  1  0.7633  0.5626  0.3534  1
]