data_[Ce4Tm2Hg16]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3348]
_cell_length_b [5.2351]
_cell_length_c [7.4872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2TmHg8]
_chemical_formula_sum '[Ce4 Tm2 Hg16]'
_cell_volume [598.5315]
_cell_formula_units_Z [2]
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  4  0.2086  0.0000  0.6570  1.0
  Tm  Tm1  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  4  0.0151  0.0000  0.7289  1.0
  Hg  Hg3  4  0.0950  0.5000  0.4421  1.0
  Hg  Hg4  4  0.1534  0.0000  0.1578  1.0
  Hg  Hg5  4  0.1626  0.5000  0.8873  1.0
]