data_[Cs12Tl4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [9.1974]
_cell_length_b [8.8594]
_cell_length_c [15.7599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Cs3TlHg]
_chemical_formula_sum '[Cs12 Tl4 Hg4]'
_cell_volume [1278.3554]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.1159  0.2333  0.0470  1.0
  Cs  Cs1  4  0.2814  0.3916  0.3322  1.0
  Cs  Cs2  4  0.4146  0.1549  0.6143  1.0
  Tl  Tl3  4  0.1511  0.0410  0.7993  1.0
  Hg  Hg4  4  0.0759  0.3647  0.6624  1.0
]