data_[Cd3In1Hg4]
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 [Pmm2]
_cell_length_a [3.6662]
_cell_length_b [4.9328]
_cell_length_c [11.5935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Cd3InHg4]
_chemical_formula_sum '[Cd3 In1 Hg4]'
_cell_volume [209.6608]
_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  1  0.0000  0.0000  0.3965  1.0
  Cd  Cd1  1  0.0000  0.5000  0.5996  1.0
  Cd  Cd2  1  0.5000  0.0000  0.8927  1.0
  In  In3  1  0.5000  0.5000  0.1086  1.0
  Hg  Hg4  1  0.0000  0.0000  0.1336  1.0
  Hg  Hg5  1  0.0000  0.5000  0.8633  1.0
  Hg  Hg6  1  0.5000  0.0000  0.6332  1.0
  Hg  Hg7  1  0.5000  0.5000  0.3724  1.0
]