data_[Cd3In2Hg7]
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 [5.4950]
_cell_length_b [3.2586]
_cell_length_c [18.0565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cd3In2Hg7]
_chemical_formula_sum '[Cd3 In2 Hg7]'
_cell_volume [323.1656]
_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  0.1158  0.0000  0.3698  1.0
  Cd  Cd1  1  0.5000  0.5000  0.0000  1.0
  In  In2  2  0.4304  0.5000  0.6988  1.0
  Hg  Hg3  2  0.0519  0.5000  0.1963  1.0
  Hg  Hg4  2  0.2601  0.5000  0.5336  1.0
  Hg  Hg5  2  0.4541  0.0000  0.8575  1.0
  Hg  Hg6  1  0.0000  0.0000  0.0000  1.0
]