data_[Ce16In4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.0533]
_cell_length_b [17.3133]
_cell_length_c [6.1859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0567]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4InHg]
_chemical_formula_sum '[Ce16 In4 Hg4]'
_cell_volume [643.3852]
_cell_formula_units_Z [4]
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
[
  Ce  Ce0  8  0.0786  0.4261  0.4626  1.0
  Ce  Ce1  8  0.2079  0.1576  0.0285  1.0
  In  In2  4  0.0000  0.0033  0.7500  1.0
  Hg  Hg3  4  0.2500  0.2500  0.5000  1.0
]