data_[Ce6Tl2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5183]
_cell_length_b [4.1946]
_cell_length_c [8.3991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce3TlHg]
_chemical_formula_sum '[Ce6 Tl2 Hg2]'
_cell_volume [264.8713]
_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  2  0.1004  0.2500  0.3654  1.0
  Ce  Ce1  2  0.1165  0.7500  0.0332  1.0
  Ce  Ce2  2  0.3216  0.7500  0.4407  1.0
  Tl  Tl3  2  0.4678  0.2500  0.1506  1.0
  Hg  Hg4  2  0.2340  0.2500  0.7373  1.0
]