data_[Sr6Tl14Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5350]
_cell_length_b [5.0753]
_cell_length_c [11.7316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.8740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Tl7Hg4]
_chemical_formula_sum '[Sr6 Tl14 Hg8]'
_cell_volume [859.1862]
_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
[
  Sr  Sr0  4  0.2019  0.5000  0.2151  1
  Sr  Sr1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  4  0.0098  0.5000  0.8287  1
  Tl  Tl3  4  0.1566  0.5000  0.5155  1
  Tl  Tl4  4  0.1572  0.0000  0.9257  1
  Tl  Tl5  2  0.0000  0.0000  0.0000  1
  Hg  Hg6  4  0.1386  0.0000  0.3591  1
  Hg  Hg7  4  0.1484  0.5000  0.7616  1
]