data_[Sr2Mg1Tl1Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [P-1]
_cell_length_a [5.6853]
_cell_length_b [5.7900]
_cell_length_c [9.5204]
_cell_angle_alpha [105.5893]
_cell_angle_beta [98.0047]
_cell_angle_gamma [105.2426]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2MgTlHg6]
_chemical_formula_sum '[Sr2 Mg1 Tl1 Hg6]'
_cell_volume [283.7148]
_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
[
  Sr  Sr0  2  0.3683  0.6830  0.8034  1.0
  Mg  Mg1  1  0.5000  0.0000  0.5000  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  2  0.0963  0.0670  0.6719  1.0
  Hg  Hg4  2  0.2294  0.4727  0.4199  1.0
  Hg  Hg5  2  0.2704  0.6773  0.1450  1.0
]