data_[Ca8Ag2Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9916]
_cell_length_b [5.2617]
_cell_length_c [6.4568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2320]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca4AgHg5]
_chemical_formula_sum '[Ca8 Ag2 Hg10]'
_cell_volume [524.2077]
_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  4  0.0938  0.0000  0.8566  1
  Ca  Ca1  4  0.1904  0.5000  0.3100  1
  Ag  Ag2  2  0.0000  0.5000  0.0000  1
  Hg  Hg3  4  0.1041  0.0000  0.3758  1
  Hg  Hg4  4  0.2115  0.5000  0.8272  1
  Hg  Hg5  2  0.0000  0.5000  0.5000  1
]