data_[Mg10Cd2In4Hg4]
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 [P4/mbm]
_cell_length_a [12.0672]
_cell_length_b [12.0672]
_cell_length_c [3.2727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Mg5Cd(InHg)2]
_chemical_formula_sum '[Mg10 Cd2 In4 Hg4]'
_cell_volume [476.5568]
_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  8  0.0130  0.7931  0.5000  1
  Mg  Mg1  2  0.0000  0.5000  0.5000  1
  Cd  Cd2  2  0.0000  0.0000  0.0000  1
  In  In3  4  0.1795  0.3205  0.0000  1
  Hg  Hg4  4  0.1424  0.6424  0.0000  1
]