data_[Tl12Hg4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.7504]
_cell_length_b [5.5170]
_cell_length_c [10.6595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl3HgRh]
_chemical_formula_sum '[Tl12 Hg4 Rh4]'
_cell_volume [515.0305]
_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
[
  Tl  Tl0  4  0.0630  0.0639  0.8677  1.0
  Tl  Tl1  4  0.3234  0.6217  0.9181  1.0
  Tl  Tl2  4  0.4051  0.1200  0.1659  1.0
  Hg  Hg3  4  0.1608  0.5389  0.1125  1.0
  Rh  Rh4  4  0.3716  0.1282  0.8831  1.0
]