data_[Ce3Tm6Ag3Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0520]
_cell_length_b [5.0520]
_cell_length_c [26.8892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CeTm2AgHg4]
_chemical_formula_sum '[Ce3 Tm6 Ag3 Hg12]'
_cell_volume [594.3489]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Tm  Tm1  6  0.0000  0.0000  0.2401  1
  Ag  Ag2  3  -0.0000  -0.0000  0.5000  1
  Hg  Hg3  6  0.0000  0.0000  0.1254  1
  Hg  Hg4  6  0.0000  0.0000  0.3820  1
]