data_[Ca2Hg2Cl10]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [15.0029]
_cell_length_b [4.0004]
_cell_length_c [19.4359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [CaHgCl5]
_chemical_formula_sum '[Ca2 Hg2 Cl10]'
_cell_volume [1166.5030]
_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  0.2500  0.5000  0.0206  1
  Hg  Hg1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  4  0.0695  0.5000  0.0784  1
  Cl  Cl3  4  0.1502  0.0000  0.9387  1
  Cl  Cl4  2  0.2500  0.0000  0.1141  1
]