data_[Ce3Cd2Hg7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.9578]
_cell_length_b [4.1983]
_cell_length_c [15.6318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce3Cd2Hg7]
_chemical_formula_sum '[Ce3 Cd2 Hg7]'
_cell_volume [321.2515]
_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  0.1849  0.0000  0.3662  1
  Ce  Ce1  1  0.5000  0.5000  0.0000  1
  Cd  Cd2  2  0.3593  0.5000  0.7225  1
  Hg  Hg3  2  0.0854  0.5000  0.1673  1
  Hg  Hg4  2  0.2719  0.5000  0.5441  1
  Hg  Hg5  2  0.4227  0.0000  0.8493  1
  Hg  Hg6  1  0.0000  0.0000  0.0000  1
]