data_[Mg2Cr4Hg4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cr  1.6600  1.4000  0.9400
  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 [8.2130]
_cell_length_b [6.7879]
_cell_length_c [7.7842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgCr2(HgO4)2]
_chemical_formula_sum '[Mg2 Cr4 Hg4 O16]'
_cell_volume [433.7662]
_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
[
  Mg  Mg0  2  0.0000  0.5000  0.0000  1
  Cr  Cr1  4  0.1529  0.5000  0.7303  1
  Hg  Hg2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  2  0.0000  0.0000  0.5000  1
  O  O4  8  0.0335  0.3017  0.7708  1
  O  O5  4  0.2443  0.0000  0.4610  1
  O  O6  4  0.2468  0.0000  0.0604  1
]