data_[Ce4Ni2Hg5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8122]
_cell_length_b [3.6183]
_cell_length_c [9.5627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4Ni2Hg5]
_chemical_formula_sum '[Ce4 Ni2 Hg5]'
_cell_volume [269.6449]
_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  0.1836  0.5000  0.8435  1.0
  Ce  Ce1  2  0.2170  0.5000  0.4354  1.0
  Ni  Ni2  2  0.0712  0.0000  0.6289  1.0
  Hg  Hg3  2  0.1603  0.0000  0.1418  1.0
  Hg  Hg4  2  0.4494  0.0000  0.6659  1.0
  Hg  Hg5  1  0.5000  0.0000  0.0000  1.0
]