data_[Ca1Hg1Os2O8]
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
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.5921]
_cell_length_b [6.5921]
_cell_length_c [7.8398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [CaHg(OsO4)2]
_chemical_formula_sum '[Ca1 Hg1 Os2 O8]'
_cell_volume [295.0381]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg1  1  0.0000  0.0000  0.5000  1.0
  Os  Os2  2  0.3333  0.6667  0.0815  1.0
  O  O3  6  0.1847  0.8153  0.1478  1.0
  O  O4  2  0.3333  0.6667  0.8592  1.0
]