data_[Ce2In6Hg4Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3096]
_cell_length_b [8.4400]
_cell_length_c [6.9905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2795]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeIn3(HgBr3)2]
_chemical_formula_sum '[Ce2 In6 Hg4 Br12]'
_cell_volume [962.0278]
_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  2  0.0000  0.0000  0.5000  1.0
  In  In1  4  0.2500  0.2500  0.5000  1.0
  In  In2  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg3  4  0.1490  0.5000  0.2612  1.0
  Br  Br4  8  0.0833  0.2453  0.7272  1.0
  Br  Br5  4  0.1426  0.0000  0.2557  1.0
]