data_[Cd2In3Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/m]
_cell_length_a [5.2051]
_cell_length_b [3.1808]
_cell_length_c [11.5183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cd2In3Hg2]
_chemical_formula_sum '[Cd2 In3 Hg2]'
_cell_volume [189.1960]
_cell_formula_units_Z [1]
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
[
  Cd  Cd0  2  0.1711  0.0000  0.2758  1.0
  In  In1  2  0.2744  0.0000  0.5763  1.0
  In  In2  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  2  0.4147  0.5000  0.8560  1.0
]