data_[Ca6Hg3Te3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [R3]
_cell_length_a [5.7688]
_cell_length_b [5.7688]
_cell_length_c [16.0964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ca2HgTeO6]
_chemical_formula_sum '[Ca6 Hg3 Te3 O18]'
_cell_volume [463.9092]
_cell_formula_units_Z [3]
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
[
  Ca  Ca0  3  0.0000  0.0000  0.4698  1
  Ca  Ca1  3  0.0000  0.0000  0.9918  1
  Hg  Hg2  3  0.0000  0.0000  0.2555  1
  Te  Te3  3  0.0000  0.0000  0.6703  1
  O  O4  9  0.0189  0.7438  0.5879  1
  O  O5  9  0.0458  0.3738  0.3958  1
]