data_[Ce16Sn4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.0201]
_cell_length_b [5.6255]
_cell_length_c [7.4258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4SnHg]
_chemical_formula_sum '[Ce16 Sn4 Hg4]'
_cell_volume [698.8546]
_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  0.0683  0.4090  0.9587  1
  Ce  Ce1  8  0.1528  0.1964  0.5892  1
  Sn  Sn2  4  0.0000  0.0833  0.2500  1
  Hg  Hg3  4  0.2500  0.2500  0.0000  1
]