data_[Cd4In2Ag1Hg1]
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
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2450]
_cell_length_b [6.2668]
_cell_length_c [6.2746]
_cell_angle_alpha [73.4389]
_cell_angle_beta [60.1816]
_cell_angle_gamma [61.2466]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cd4In2AgHg]
_chemical_formula_sum '[Cd4 In2 Ag1 Hg1]'
_cell_volume [186.4435]
_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  0.3585  0.5228  0.0875  1.0
  Cd  Cd1  1  0.4814  0.0138  0.4037  1.0
  Cd  Cd2  1  0.8725  0.4887  0.0875  1.0
  Cd  Cd3  1  0.9726  0.9844  0.4085  1.0
  In  In4  1  0.4791  0.0113  0.9007  1.0
  In  In5  1  0.8967  0.4405  0.5935  1.0
  Ag  Ag6  1  0.9720  0.9881  0.9290  1.0
  Hg  Hg7  1  0.3542  0.5503  0.5897  1.0
]