data_[La2Ce2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.3384]
_cell_length_b [6.0693]
_cell_length_c [8.5125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [LaCeHg]
_chemical_formula_sum '[La2 Ce2 Hg2]'
_cell_volume [172.4786]
_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
[
  La  La0  1  0.5000  0.0000  0.0063  1
  La  La1  1  0.5000  0.5000  0.2692  1
  Ce  Ce2  2  0.5000  0.2703  0.6357  1
  Hg  Hg3  1  0.0000  0.0000  0.3534  1
  Hg  Hg4  1  0.0000  0.5000  0.9329  1
]