data_[Mg2Cd2In4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.5630]
_cell_length_b [10.3112]
_cell_length_c [6.2646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [MgCd(InHg)2]
_chemical_formula_sum '[Mg2 Cd2 In4 Hg4]'
_cell_volume [294.7460]
_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
[
  Mg  Mg0  2  0.5000  0.3309  0.6646  1.0
  Cd  Cd1  2  0.0000  0.4922  0.9199  1.0
  In  In2  2  0.0000  0.1786  0.3535  1.0
  In  In3  2  0.5000  0.0127  0.0898  1.0
  Hg  Hg4  2  0.0000  0.1763  0.8484  1.0
  Hg  Hg5  2  0.5000  0.3605  0.1695  1.0
]