data_[Mg1Tl1Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.7185]
_cell_length_b [5.1780]
_cell_length_c [5.3484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MgTlHg2]
_chemical_formula_sum '[Mg1 Tl1 Hg2]'
_cell_volume [102.9528]
_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
[
  Mg  Mg0  1  0.5862  0.0000  0.5879  1.0
  Tl  Tl1  1  0.6470  0.5000  0.1796  1.0
  Hg  Hg2  1  0.1269  0.5000  0.6724  1.0
  Hg  Hg3  1  0.1400  0.0000  0.0601  1.0
]