data_[Ca4Ag6Hg4]
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 [10.6451]
_cell_length_b [4.6066]
_cell_length_c [7.2227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Ag3Hg2]
_chemical_formula_sum '[Ca4 Ag6 Hg4]'
_cell_volume [336.8226]
_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  0.1322  0.0000  0.7589  1.0
  Ag  Ag1  4  0.1085  0.5000  0.4270  1.0
  Ag  Ag2  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg3  4  0.1630  0.0000  0.2135  1.0
]