data_[Tl4Ga1Hg3]
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 [Pmm2]
_cell_length_a [3.6266]
_cell_length_b [4.8594]
_cell_length_c [13.0416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tl4GaHg3]
_chemical_formula_sum '[Tl4 Ga1 Hg3]'
_cell_volume [229.8336]
_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  0.0000  0.0000  0.1619  1.0
  Tl  Tl1  1  0.0000  0.5000  0.8412  1.0
  Tl  Tl2  1  0.5000  0.0000  0.6705  1.0
  Tl  Tl3  1  0.5000  0.5000  0.3234  1.0
  Ga  Ga4  1  0.5000  0.5000  0.0671  1.0
  Hg  Hg5  1  0.0000  0.0000  0.4263  1.0
  Hg  Hg6  1  0.0000  0.5000  0.5742  1.0
  Hg  Hg7  1  0.5000  0.0000  0.9356  1.0
]