data_[Hg4Te4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [11.7061]
_cell_length_b [4.8284]
_cell_length_c [7.7594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [HgTeO3]
_chemical_formula_sum '[Hg4 Te4 O12]'
_cell_volume [384.3315]
_cell_formula_units_Z [4]
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
[
  Hg  Hg0  4  0.1760  0.9110  0.1023  1.0
  Te  Te1  4  0.0004  0.4536  0.7395  1.0
  O  O2  4  0.0083  0.8419  0.2078  1.0
  O  O3  4  0.1257  0.4707  0.6469  1.0
  O  O4  4  0.1362  0.3959  0.0063  1.0
]