data_[Ca2Mg4Al2Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0090]
_cell_length_b [6.4066]
_cell_length_c [14.8388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CaMg2AlHg5]
_chemical_formula_sum '[Ca2 Mg4 Al2 Hg10]'
_cell_volume [476.1953]
_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  0.5000  0.0000  1
  Mg  Mg1  4  0.0000  0.0000  0.1896  1
  Al  Al2  2  0.0000  0.5000  0.5000  1
  Hg  Hg3  8  0.0000  0.2347  0.3517  1
  Hg  Hg4  2  0.0000  0.0000  0.0000  1
]