data_[Mg4Cd2In2Hg12]
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 [P2_1/c]
_cell_length_a [8.4307]
_cell_length_b [7.3357]
_cell_length_c [10.0984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.9901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mg2CdInHg6]
_chemical_formula_sum '[Mg4 Cd2 In2 Hg12]'
_cell_volume [505.3212]
_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  4  0.2523  0.6615  0.7995  1.0
  Cd  Cd1  2  0.5000  0.0000  0.0000  1.0
  In  In2  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  4  0.1066  0.6051  0.4477  1.0
  Hg  Hg4  4  0.2293  0.2022  0.4061  1.0
  Hg  Hg5  4  0.4767  0.6139  0.1957  1.0
]