data_[Ce2In9Hg1]
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
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6518]
_cell_length_b [4.6518]
_cell_length_c [14.6288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ce2In9Hg]
_chemical_formula_sum '[Ce2 In9 Hg1]'
_cell_volume [316.5500]
_cell_formula_units_Z [1]
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  0.3373  1
  In  In1  4  0.0000  0.5000  0.1696  1
  In  In2  2  0.0000  0.5000  0.5000  1
  In  In3  2  0.5000  0.5000  0.3405  1
  In  In4  1  0.5000  0.5000  0.0000  1
  Hg  Hg5  1  0.0000  0.0000  0.0000  1
]