data_[Ce4Tl2Hg2Ru2]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3254]
_cell_length_b [4.0326]
_cell_length_c [8.4561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce2TlHgRu]
_chemical_formula_sum '[Ce4 Tl2 Hg2 Ru2]'
_cell_volume [263.9212]
_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  0.0167  0.7500  0.7343  1.0
  Ce  Ce1  2  0.3371  0.2500  0.1154  1.0
  Tl  Tl2  2  0.3408  0.7500  0.4616  1.0
  Hg  Hg3  2  0.3142  0.2500  0.7251  1.0
  Ru  Ru4  2  0.1099  0.7500  0.1241  1.0
]