data_[Ca2Hg4Os2O12]
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 [P2_1/c]
_cell_length_a [5.8035]
_cell_length_b [5.7409]
_cell_length_c [10.0638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7783]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaHg2OsO6]
_chemical_formula_sum '[Ca2 Hg4 Os2 O12]'
_cell_volume [275.4032]
_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
[
  Ca  Ca0  2  0.5000  0.0000  0.0000  1.0
  Hg  Hg1  4  0.2633  0.5232  0.7571  1.0
  Os  Os2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.0971  0.7183  0.4421  1.0
  O  O4  4  0.2474  0.1646  0.4648  1.0
  O  O5  4  0.3070  0.5553  0.2223  1.0
]