data_[Ca2In4Ag4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  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 [9.5592]
_cell_length_b [4.2574]
_cell_length_c [8.1882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaIn2(AgHg)2]
_chemical_formula_sum '[Ca2 In4 Ag4 Hg4]'
_cell_volume [330.7342]
_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  0.0000  0.0000  0.0000  1
  In  In1  4  0.1345  0.0000  0.4176  1
  Ag  Ag2  4  0.0754  0.5000  0.6903  1
  Hg  Hg3  4  0.2172  0.5000  0.1634  1
]