data_[Ce8Ga2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7007]
_cell_length_b [6.7177]
_cell_length_c [8.0444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce4GaHg]
_chemical_formula_sum '[Ce8 Ga2 Hg2]'
_cell_volume [305.4172]
_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  4  0.1566  0.0096  0.6527  1.0
  Ce  Ce1  2  0.0226  0.7500  0.0073  1.0
  Ce  Ce2  2  0.2992  0.2500  0.2766  1.0
  Ga  Ga3  2  0.5000  0.0000  0.0000  1.0
  Hg  Hg4  2  0.3584  0.7500  0.3567  1.0
]