data_[Cr6Cu2Hg6O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  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 [10.4548]
_cell_length_b [5.9354]
_cell_length_c [6.8626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr3CuHg3O8]
_chemical_formula_sum '[Cr6 Cu2 Hg6 O16]'
_cell_volume [400.2661]
_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
[
  Cr  Cr0  4  0.2500  0.2500  0.5000  1
  Cr  Cr1  2  0.0000  0.5000  0.5000  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
  Hg  Hg3  4  0.2500  0.2500  0.0000  1
  Hg  Hg4  2  0.0000  0.0000  0.0000  1
  O  O5  8  0.0492  0.2474  0.3414  1
  O  O6  4  0.1995  0.5000  0.6562  1
  O  O7  4  0.2049  0.0000  0.6609  1
]