data_[Cr2Hg2Te2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.2443]
_cell_length_b [8.9414]
_cell_length_c [5.0288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CrHgTeO6]
_chemical_formula_sum '[Cr2 Hg2 Te2 O12]'
_cell_volume [235.5930]
_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  2  0.0000  0.3257  0.0000  1.0
  Hg  Hg1  2  0.0000  0.9959  0.5000  1.0
  Te  Te2  2  0.0000  0.6685  0.0000  1.0
  O  O3  4  0.1314  0.5003  0.2114  1.0
  O  O4  4  0.1915  0.1922  0.2150  1.0
  O  O5  4  0.1924  0.8123  0.2171  1.0
]