data_[Ca4Hg4N8O24]
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
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7874]
_cell_length_b [8.9211]
_cell_length_c [8.0461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaHg(NO3)2]
_chemical_formula_sum '[Ca4 Hg4 N8 O24]'
_cell_volume [644.6173]
_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
[
  Ca  Ca0  4  0.0000  0.4253  0.2500  1.0
  Hg  Hg1  4  0.0000  0.0225  0.7500  1.0
  N  N2  8  0.1972  0.3312  0.7183  1.0
  O  O3  8  0.0874  0.3806  0.5771  1.0
  O  O4  8  0.2148  0.3895  0.8678  1.0
  O  O5  8  0.2202  0.2700  0.2965  1.0
]