data_[Mg2Cd6In2Hg2]
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/m]
_cell_length_a [9.8940]
_cell_length_b [3.2400]
_cell_length_c [10.2677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgCd3InHg]
_chemical_formula_sum '[Mg2 Cd6 In2 Hg2]'
_cell_volume [290.3184]
_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  0.2802  0.2500  0.0677  1.0
  Cd  Cd1  2  0.0654  0.7500  0.1543  1.0
  Cd  Cd2  2  0.1361  0.7500  0.7444  1.0
  Cd  Cd3  2  0.4283  0.2500  0.8501  1.0
  In  In4  2  0.2077  0.2500  0.4930  1.0
  Hg  Hg5  2  0.4160  0.7500  0.3515  1.0
]