data_[Ba4Cr2Hg2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [6.3931]
_cell_length_b [7.4819]
_cell_length_c [8.2141]
_cell_angle_alpha [88.6893]
_cell_angle_beta [86.4446]
_cell_angle_gamma [67.1660]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2CrHgO6]
_chemical_formula_sum '[Ba4 Cr2 Hg2 O12]'
_cell_volume [361.4130]
_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
[
  Ba  Ba0  2  0.1985  0.2197  0.6081  1
  Ba  Ba1  2  0.2335  0.2637  0.1203  1
  Cr  Cr2  2  0.2737  0.7878  0.1374  1
  Hg  Hg3  2  0.2983  0.7071  0.6383  1
  O  O4  2  0.0567  0.6007  0.6353  1
  O  O5  2  0.1206  0.6538  0.1077  1
  O  O6  2  0.1527  0.9352  0.2945  1
  O  O7  2  0.2852  0.9201  0.9741  1
  O  O8  2  0.4587  0.3481  0.8263  1
  O  O9  2  0.4853  0.1590  0.3632  1
]