data_[Tl4Hg3]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8245]
_cell_length_b [5.9628]
_cell_length_c [19.1815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [114.0422]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl4Hg3]
_chemical_formula_sum '[Tl4 Hg3]'
_cell_volume [608.3882]
_cell_formula_units_Z [1]
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  1  0.2515  0.9855  0.5896  1
  Tl  Tl1  1  0.3374  0.9037  0.3957  1
  Tl  Tl2  1  0.8143  0.4250  0.3918  1
  Tl  Tl3  1  0.8897  0.3538  0.5840  1
  Hg  Hg4  1  0.3240  0.4112  0.4647  1
  Hg  Hg5  1  0.5723  0.6713  0.6098  1
  Hg  Hg6  1  0.8302  0.9160  0.4644  1
]