data_[Tl12Ga2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3389]
_cell_length_b [3.3630]
_cell_length_c [11.9697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl6GaHg2]
_chemical_formula_sum '[Tl12 Ga2 Hg4]'
_cell_volume [538.9030]
_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
[
  Tl  Tl0  4  0.0525  0.0000  0.7014  1.0
  Tl  Tl1  4  0.1801  0.5000  0.5680  1.0
  Tl  Tl2  4  0.2069  0.0000  0.0804  1.0
  Ga  Ga3  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  4  0.1047  0.5000  0.2486  1.0
]