data_[Ce2Zn4Ga3Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3088]
_cell_length_b [4.3088]
_cell_length_c [10.5668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ce2Zn4Ga3Hg]
_chemical_formula_sum '[Ce2 Zn4 Ga3 Hg1]'
_cell_volume [196.1778]
_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  0.5000  0.7612  1.0
  Zn  Zn1  2  0.0000  0.5000  0.3568  1.0
  Zn  Zn2  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn3  1  0.5000  0.5000  0.0000  1.0
  Ga  Ga4  2  0.0000  0.5000  0.1303  1.0
  Ga  Ga5  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg6  1  0.5000  0.5000  0.5000  1.0
]