data_[Ce4Tm16Hg4]
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/c]
_cell_length_a [8.6302]
_cell_length_b [13.8740]
_cell_length_c [6.2046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CeTm4Hg]
_chemical_formula_sum '[Ce4 Tm16 Hg4]'
_cell_volume [697.7970]
_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  4  0.0000  0.3928  0.2500  1
  Tm  Tm1  8  0.0997  0.1891  0.5520  1
  Tm  Tm2  8  0.2147  0.3945  0.8570  1
  Hg  Hg3  4  0.0000  0.0005  0.7500  1
]