data_[Mn4Cr2Hg2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [P-1]
_cell_length_a [5.9055]
_cell_length_b [6.6222]
_cell_length_c [7.1004]
_cell_angle_alpha [87.8232]
_cell_angle_beta [88.5964]
_cell_angle_gamma [71.4311]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn2CrHgO6]
_chemical_formula_sum '[Mn4 Cr2 Hg2 O12]'
_cell_volume [263.0077]
_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  0.1816  0.3018  0.1183  1
  Mn  Mn1  2  0.2004  0.2699  0.5722  1
  Cr  Cr2  2  0.2524  0.8036  0.1527  1
  Hg  Hg3  2  0.3135  0.7206  0.6608  1
  O  O4  2  0.0461  0.5892  0.6534  1
  O  O5  2  0.0587  0.8765  0.3333  1
  O  O6  2  0.1764  0.6102  0.0405  1
  O  O7  2  0.2360  0.0089  0.0043  1
  O  O8  2  0.4101  0.1662  0.3371  1
  O  O9  2  0.4666  0.2899  0.7716  1
]